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((S)-1-(N'-(3',5'-difluoro-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-(N'-(4'-acetylamino-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
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((S)-1-(N'-(4-benzo[1,3]dioxol-5-yl-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-(N'-benzyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-phenethyl-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-[4-(1-methyl-1H-pyrazol-4-yl)-benzyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-(N'-[4-(3,5-dimethyl-isoxazol-4-yl)-benzyl]-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
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((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-[N'-biphenyl-4-ylmethyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
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((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-4-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
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(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propyl)-carbamic acid benzyl ester
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(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-(1-[(2S)-1-[(2-ammonioethyl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl)-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanamine
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(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanaminium
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(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
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(1S)-2-methyl-1-[1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
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(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]propan-1-aminium
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(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanaminium
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(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanamine
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(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
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broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4-oxopent-2-enamide
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(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
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(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
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(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R,5S)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
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(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-2-hydroxy-3-methylbutanamide
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(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-2-hydroxy-3-methylbutanamide
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(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-2-hydroxy-3-methylbutanamide
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(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
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(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-2,3-dimethylbutanamide
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(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
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broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
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(2S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
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(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
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(2S)-N-[(4S,7S,10S,11R,12R,13S)-10-benzyl-11,12-dihydroxy-4-(naphthalen-1-ylmethyl)-2,2-dioxido-5,8-dioxo-14-phenyl-7-(propan-2-yl)-2l6-thia-3,6,9-triazatetradecan-13-yl]-3-methyl-2-[[(2S)-2-[(methylsulfonyl)amino]-3-(naphthalen-1-yl)propanoyl]amino]butanamide)
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(2S,2'S)-N,N'-[(2R,3R)-2,3-dihydroxybutane-1,4-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(1,3-benzodioxol-5-yl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(2,4-dimethoxyphenyl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-bis(4-hydroxyphenyl)hexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(4-methoxybenzyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3,3-dimethylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]pentanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[(naphthalen-1-yloxy)acetyl]amino]butanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[3-(pyridin-4-ylsulfonyl)propanoyl]amino]butanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
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(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis[2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanamide]
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(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
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(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-di(pyridin-4-yl)octane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-diphenyloctane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N,N'-[(6S,7R,8R,9S)-7,8-dihydroxytetradecane-6,9-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
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(2S,2'S)-N1,N1'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]butanediamide)
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(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
compound has an improved response to V82A mutant enzyme
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
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(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
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compound has an improved response to V82A mutant enzyme
(2S,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl]-N-[(1S)-1-hydroxy-2-phenylethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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(2S,4S)-N-[(1R,2R)-4-[(1H-benzimidazol-2-ylmethyl)amino]-1-benzyl-2-hydroxy-4-oxobutyl]-2-[(1R)-1-(benzylcarbamoyl)-3-oxo-4-phenylbutyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
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(3aR,4R,7aS)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
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(3aR,5r,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
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(3aR,7aR)-octahydro-1-benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
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(3aR,7aR)-octahydro-1H-inden-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
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(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
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(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
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(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
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(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
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(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
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(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
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(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
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(3aS,5R,7aR)-hexahydro-4H-furo[2,3-b]pyran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
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(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxypentanamide
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(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxypentanamide
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(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxypentanamide
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(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-methylpent-4-enamide
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(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
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(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
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(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
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(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-(13-methoxy-1,1-dioxido-3,4,5,6,7,8,9,10-octahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl)-1-phenylbutan-2-yl]carbamate
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GRL-246
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(2-methylpropyl)([1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-6-yl]sulfonyl)amino]-1-phenylbutan-2-yl]carbamate
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(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-12-methoxy-1,1-dioxido-4,5,6,9-tetrahydro-10,1,2-benzoxathiazacyclododecin-2(3H)-yl]-1-phenylbutan-2-yl]carbamate
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GRL-396
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate
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GRL-216, blocks dimerization
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-14-methoxy-1,1-dioxido-4,5,6,9,10,11-hexahydro-12,1,2-benzoxathiazacyclotetradecin-2(3H)-yl]-1-phenylbutan-2-yl]carbamate
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GRL-286, blocks dimerization
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-3-hydroxy-4-[(4R)-4-[[4-(hydroxymethyl)-2-methylbenzyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-4-[(4-amino-2-methylbenzyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-yl-carbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-4-(4-amino-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-(2-phenylethyl)-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-3-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-propyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
-
-
(3R,4S,5S,6S)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
-
-
(3R,6S,9S,10R,11R,12S,15S,18R)-3,9,12,18-tetrabenzyl-10,11-dihydroxy-4,7,14,17-tetraoxo-6,15-di(propan-2-yl)-5,8,13,16-tetraazaicosane-1,20-dioic acid
-
-
(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
(3S)-tetrahydrofuran-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(3S,4aS,8aS)-2-((2R,3S)-4-(benzo[b]thiophen-2-yl)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)butyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-3-(4-phenylthiophen-2-yl)propyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(4-phenylthiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(thiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
-
-
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(thiophen-2-yl)butyl]decahydroisoquinoline-3-carboxamide
-
-
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl](4-phenylbutanoyl)amino)methyl)pyrrolidinium
-
IC50 is 0.0198 mM, binding structure analysis, modelling
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino)methyl)pyrrolidinium
-
IC50 is 0.0221 mM, binding structure analysis, modelling
(4-[4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-2H-pyran-6-yl]phenoxy)acetic acid
-
-
(4aR,7aS)-octahydrocyclopenta[b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(4aS,7aR)-hexahydro-2H-furo[3,4-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
-
(4R)-3-[(2S,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2,5-dimethoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3,4,5-trimethoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methoxyphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methylphenyl)-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-phenyl-L-prolinamide
-
-
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-tert-butyl-L-prolinamide
-
-
(4R)-N-tert-butyl-3-[(2S,3S)-3-([(2,6-dimethylphenoxy)acetyl]amino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(4R,5S,6S,7S)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
-
-
(5R)-1,3-dioxepan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-(13-methyltetradecanoyl)furan-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-(14-methylhexadecanoyl)furan-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-pentadecanoylfuran-2(5H)-one
-
-
(5R)-4-hydroxy-5-(hydroxymethyl)-3-tetradecanoylfuran-2(5H)-one
-
-
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3-aminophenyl)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)-(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxooxazolidine-5-carboxamide
-
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)-propyl]-2-oxooxazolidine-5-carboxamide
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-((phenylmethyl)propyl)aminocarbonyl]-2-oxo-((3-oxazolidinyl)phenyl)carbamic acid methyl ester
-
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-nitrophenyl)-2-oxooxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
-
(5S,8S,11S,12R,13R,14S,17S)-11,14-dibenzyl-17-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-8-(2-carboxyethyl)-12,13-dihydroxy-2,2-dimethyl-5-(naphthalen-1-ylmethyl)-6,9,16-trioxo-3l6-thia-7,10,15-triazaicosan-20-oic acid 3,3-dioxide
-
-
(6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
(6S)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
(hydroxyethyl)amide isostere
-
-
(R)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
(R)-N1-((1R,2R)-3-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2-(1H)-yl)-2-hydroxy-1-(4-phenylthiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-1-(benzo[b]thiophen-2-yl)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxybutan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-2-hydroxy-1-(thiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(4-phenylthiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(thiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
-
-
(S)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-hydroxybutanamide)
-
-
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-methylpentanamide)
-
-
(S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid tert-butylamide
-
-
(S,S,S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid [1-(1-tert-butylcarbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide
-
-
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
1-(4-Chloro-phenyl)-propane-1,2-dione 1-oxime
-
slightly inhibitory
1-(benzyl[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino)-L-prolyl-N-tert-butyl-L-valinamide
-
-
1-Chloro-3-(4-chloro-phenyl)-propan-2-one
-
slightly inhibitory
1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-4-(2-phenylethyl)-1H-1,2,3-triazole
-
-
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-L-prolyl-N-tert-butyl-L-valinamide
-
-
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-N-tert-butyl-L-prolinamide
-
-
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(4-oxo-4H-chromene-2-carbonyl)-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.13 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(naphthalen-2-yloxy)-pyrrolidine-2-carboxylic acid tert-butylamide
-
IC50: 18 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(quinoline-8-sulfonyl)-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.03 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 0.41 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 38 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperidine-2-carboxylic acid tert-butylamide
-
IC50: 80 nM
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-pyrrolidine-2-carboxylic acid tert-butylamide
-
IC50: 350 nM
2'-([4-[3-(4-bromophenyl)propanoyl]phenyl]acetyl)biphenyl-2-carboxylic acid
-
-
2,3,4,5,5-pentahydroxy-N-[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11,17-tribenzyl-9,10,20,21,22,23,23-heptahydroxy-3,6,13,16,19-pentaoxo-1-phenyl-5,14-di(propan-2-yl)-4,7,12,15,18-pentaazatricosan-2-yl]pentanamide
-
-
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclohexylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclopentylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
-
-
2,6-dimethylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 25 nM
2,6-dimethylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 28 nM
2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2,6-diphenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2-methyl-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-2-propyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(2-{5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino}-3-methyl-butyrylamino)-3-methyl-butyric acid methyl ester
-
-
2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate
-
-
2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
-
-
2-hydroxy-6-pentadecylbenzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
2-hydroxy-6-[(8Z)-pentadec-8-en-1-yl]benzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
2-hydroxyphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2-hydroxyphenoxyacetyl
-
IC50: 0.009 mM
2-hydroxyphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2-hydroxyphenoxyacetyl
-
IC50: 0.007 mM
2-O-acetyldryopteric acid A
-
inhibitor isolated from Dryopteris crassirhizoma
2-O-acetyldryopteric acid B
-
inhibitor isolated from Dryopteris crassirhizoma
2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoic acid
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3,3,3-Tribromo-1-(2-methoxy-phenyl)-propane-1,2-dione 1-oxime
-
highly inhibitory
3,3-Dibromo-1-phenyl-propane-1,2-dione 1-oxime
-
highly inhibitory
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
-
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
most potent inhibitor
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-(4,8-dimethyl-3,7-nonadienyl)-(5R)-(2,5-dihydroxyphenyl)-2(5H)-furanone
-
ganomycin I
3-(benzylsulfanyl)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one
-
-
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
-
-
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
-
-
3-benzyl-4-hydroxy-2H-chromen-2-one
-
-
3-Chloro-1-(4-chloro-phenyl)-propane-1,2-dione 1-oxime
-
highly inhibitory
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
-
3-pentadecylphenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-tert-Butylcarbamoyl-4-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-1-carboxylic acid benzyl ester
-
0.35-0.37 nM
3-tridecylphenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(10Z)-heptadec-10-en-1-yl]phenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
3-[(8Z)-pentadec-8-en-1-yl]phenol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
3-[(benzylsulfanyl)(phenyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclohexylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclopentylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[1-(cyclopentylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
3-[cyclopentyl(cyclopentylsulfanyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
-
-
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
-
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
-
4,5-anhydro-1,2,6-trideoxy-2-[[N-(phenoxyacetyl)-L-valyl]amino]-1,6-diphenyl-D-galactitol
-
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
DMP323; enantiomer of DMP323
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
-
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
-
4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
-
-
4-acetylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.023 mM
4-acetylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.019 mM
4-amino-N-[(2R,3S)-3-{[(aminooxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}benzenesulfonamide
-
-
4-Benzyl-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
-
IC50: 2.0 mM
4-formylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.08 mM
4-formylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
-
IC50: 0.068 mM
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
-
-
4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one
-
-
4-hydroxy-3-(4-phenylbutyl)-2H-chromen-2-one
-
-
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-2H-pyran-2-one
-
-
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-3-[3-(phenylsulfanyl)propyl]-2H-chromen-2-one
-
-
4-hydroxy-3-[3-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-2-one
-
-
4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
-
-
4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-(3-methylphenyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-(4-hydroxyphenyl)-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-pentyl-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-6-propyl-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-5,6-dihydro-2H-pyran-2-one
-
-
4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
-
-
4-oxo-4H-chromene-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 0.1 nM
4-[[(6-[[(4-aminothiophen-2-yl)carbonyl]amino]-1,3-benzoxazol-2-yl)carbonyl]amino]thiophene-2-carboxylic acid
-
non-competitive
5,5'-dithiobis(2-nitrobenzoic acid)
-
enzyme activity is lost when a mixed disulfide is formed between 5,5'-dithiobis(2-nitrobenzoic acid) and Cys95, the same mixed disulfide at Cys67 reduces activity by 50%. Normal activity can be restored when the enzyme is treated with dithiothreitol
5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
-
-
5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
-
-
5,6-dihydro-4-hydroxy-6-phenyl-3-(phenylthio)-6-((phenylthio)methyl)pyran-2-one
-
-
5-(3-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one
-
-
5-tridecylbenzene-1,3-diol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
-
isolated from the CH2Cl2 extracts of the sacrotestas of Ginkgo biloba
5-[4-hydroxy-6-oxo-2-phenyl-5-[(2-phenylethyl)sulfanyl]-3,6-dihydro-2H-pyran-2-yl]pentanoic acid
-
-
A-790742
-
50% effective concentration ranges from 2 to 7 nM against wild-type HIV-1. The activity is lowered by approximately 7fold in the presence of 50% human serum. A-790742 maintains potent antiviral activity against lopinavir-resistant variants generated in vitro as well as against a panel of molecular clones containing proteases derived from HIV-1 patient isolates with multiple protease mutations. HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
A79285
-
a pseudo-C2 symmetric inhibitor, which contains a central difluoroketone motif
Ac-His-Gly-Trp-Ile-PSI[N-CH(CH2(CH3)2)-CH(OH)-CH2-CH2-C(O)]-Glu-His-Gly-Asp-NH2
-
-
Ac-HMSFNL
-
IC50: 0.19 mM
Ac-QIGMTLNF
-
IC50: 0.44 mM
Ac-RASQNY
-
product inhibition with Ac-SQNYPVV as substrate
Ac-RKIL
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
Ac-SQNY
-
product inhibition with Ac-RASQNYPVV or Ac-SQNYFLDG-NH2 as substrate
Ac-TI-Nle-(CH2-NH)-Nle-QR-amide
-
-
Ac-TLNF-NH2
-
IC50 is above 2 mM
Ac-TVSFNF
-
IC50: 0.08 mM
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
alpha2-Macroglobulin
-
activity with Moloney murrine sarcoma virus-derived gag protein is inhibited at pH 5.5-7.4, activity with B chain of oxidized insulin is scarcely inhibited
-
Arg-Arg
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Arg-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Arg-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu-Asp
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Glu-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Leu-Ala-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Arg-Leu-Asn-Phe
-
IC50: 0.87 mM
ATBI
-
aspartic protease inhibitor: Ala-Gly-Lys-Lys-Asp-Asp-Asp-Asp-Pro-Pro-Glu, from Bacillus sp.
BEA369
-
molecular dynamics simulation study on the role of protonation in the protease complex with inhibitor BEA369. Protonation of aspartic acids Asp25/Asp25' has a strong influence on the dynamics behavior of the complex, the binding free energy of BEA369, and inhibitor-residue interactions. Relative binding free energies show that protonation of Asp25 results in the strongest binding of BEA369 to HIV-1 protease. Inhibitor-residue interactions indicate that protonation of Asp25 has the most favorable effect on binding of BEA369. Protonation of Asp25 strongly influences the water-mediated link of a conserved water molecule, Wat301
benzyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-1-phenyl-5-(propan-2-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoximine
-
-
bis-[[N-(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-2S-phenyl-3-yl-propionamide] sulfoximine
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide]sulfoximine
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
-
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoximine
-
-
dryopteric acid A
-
inhibitor isolated from Dryopteris crassirhizoma
dryopteric acid B
-
inhibitor isolated from Dryopteris crassirhizoma
E-R-Q-A-N-r-F-L-G-K-I
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the NC/p1 cleavage site
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
FLREDLAF
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
fullerene C60
-
Bucky Ball"
ganomycin B
-
competitive inhibition
GEDLAF
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Leu-Ala
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Arg-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Asn-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Glu-Leu
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Glu-Lys-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
GRL-98065
-
I50V, V82A and I84V mutant proteins show high levels of resistence
IGRNLLTQIGCTLNF
-
IC50: 0.41 mM
KNI-727
-
potent, small, water-soluble dipeptide-type HIV-1 protease inhibitor
Kyn-(D-alpha-(2-thienyl)glycine)-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
Kyn-Thr-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 4 nM
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-Val-Kyn
-
IC50: 4 nM
Kyn-Val-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
L-700,417
-
IC50: 0.67 mM
Leu-Leu-Glu-Tyr-Val-Met-OH
-
0.1 mg/ml, 47.2% inhibition
Leu-Leu-Glu-Tyr-Val-Phe-OH
-
0.1 mg/ml, 52.3% inhibition
Leu-Leu-Glu-Tyr-Val-Trp-OH
-
0.1 mg/ml, 64.9% inhibition
Leu-Leu-Glu-Tyr-Val-Tyr-OH
-
0.1 mg/ml, 58.6% inhibition
lysyl-tRNA synthetase
-
-
-
methyl (7S,10R,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
-
methyl (7S,10S,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
-
methyl (S)-1-(2-((R)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((R)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-3-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
-
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
-
non-competitive
methyl [(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[4-(pyridin-3-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
-
methyl [(2S)-1-[2-[(4R)-4-benzyl-4-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-2-[4-(pyridin-4-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
-
methyl [3-[(5S)-5-([(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
-
methyl [3-[(5S)-5-[[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
-
morpholine-4-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 2.4 nM
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
-
-
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
-
-
N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(pyridin-4-ylmethyl)propanoyl]amino]-3-methylbutanamide)
-
-
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-isonicotinamide
-
IC50: 1.3 nM
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-nicotinamide
-
IC50: 0.8 nM
N-methyl bis-[N-(2,2-dimethyl-8,8a-dihydro-3aH-indeno[(1S,2R)-1,2]-oxazol-3-yl) 2R-benzyl-3-yl propianamide] sulfoximine
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-2-thiophen-3-ylacetamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]pyridazine-4-carboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2,4,5-trifluoro-3-hydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2-methylbenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4,5-trihydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4-dihydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-fluoro-2-methylbenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxybenzamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-4-oxohexanamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2,3-dichlorobenzamide
-
-
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2-bromo-3-methylbenzamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
N-[(2R,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(2S)-2-[(N-acetylthreonylisoleucyl)amino]hexyl]norleucyl-N-(3-carbamimidamido-1-carbamoylpropyl)-6-oxolysinamide
-
i.e. RPB, nonhydrolyzable substrate analogue. Study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is nearly abolished by the mutation D29N, but hyrdly affected by mutation D25N
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
-
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
-
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
-
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
-
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
-
N-[(2S,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-1,8-dihydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxy-2-methyloctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(4S,8S)-8-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-9-hydroxynonan-4-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
-
-
N1-[1-Benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-3-oxo-propyl]-2-[2-(naphthalen-1-yloxy)-acetylamino]-succinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-L-alaninamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
broad specificity against a clinically relevant panel of drug-resistant HIV-1 protease variants
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
-
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
-
N2-[(2S)-2-[(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanoyl]-N-[(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl]-L-valinamide
-
-
N2-[(2S,4S,5S)-5-(acetylamino)-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoyl]-L-glutaminyl-L-argininamide
-
-
P27 peptide
-
i.e. PQITLRKKRRQRRRPPQVSFNFCTLNF. Incubation of mutant L10I/K45R/I54V/L63P/A71V/V82T/L90M/I93L with peptide leads to dose- and time-dependent formation of protease monomers, while incubation with a active-site inhibitor does not change the elution profile of the protease. The monomeric protease induced by P27 has fluorescent characteristics consistent with unfolded protein
-
Phe-Asp-Asp-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
Phe-Leu-Asp-Gly
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
Phe-Leu-Asp-Gly-NH2
-
product inhibition with Ac-SQNYFLDG-NH2 as substrate
phenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-phenoxyacetyl
-
IC50: 0.017 mM
phenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-phenoxyacetyl
-
IC50: 0.005 mM
phenyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
pyridin-3-ylmethyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-5-(propan-2-yl)-1-(pyridin-3-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
-
-
pyridine-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
-
IC50: 4.6 nM
pyrrolidinemehylene diamine derivatives
-
binding mode of pyrrolidine-based aspartyl protease inhibitors: design, synthesis and crystal structure in complex with HIV protease, overview
-
R-P-G-N-F-r-L-Q-S-R-P
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the pI-p6 cleavage site
rac-(3S,4S)-N-benzyl-2-(2,6-dimethyl-phenoxy)-N-4-[[(isobutyl-(toluene-4-sulfonyl)-amino)-methyl]-pyrrolidin-3-ylmethyl]-acetamide
-
IC50 is 0.0121 mM, binding structure analysis, modelling
rac-(3S,4S)-N-[4-([4-amino-benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
-
IC50 is 0.0033 mM, binding structure analysis, modelling
rac-(3S,4S)-N-[4-([benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
-
IC50 is 0.0022 mM, binding structure analysis, modelling
RTLNLGL
-
IC50 is above 0.8 mM
schisanlactone A
-
dimerization inhibitor
Ser-Leu-Asn-Phe
-
IC50: 0.47 mM
t-butyl 3-isopropyl-3-(2S,3S)-2-hydroxy-3-(-quinaldoyl-L-asparaginyl)amino-4-phenylbutylcarbazate
-
i.e. DG-35-VIII, inhibits processing of the Pr55gag and Pr160gag-pol precursor proteins
tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2, an ethyleneamine inhibitor, interactions with the enzyme, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2, a pseudotetrapeptide inhibitor with an acyclic S-hydroxyethylamine isostere, interactions with the enzyme and binding structure, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2, a pseudotetrapeptide inhibitor with an acyclic S-hydroxyethylamine isostere, interactions with the enzyme and binding structure, overview
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2
-
i.e. tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2, a hydroxyethylene inhibitor, interactions with the enzyme, overview
tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
-
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-7-methoxy-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
-
Thr-Leu-Asn-Leu
-
IC50: 0.38 mM
Thr-Leu-Asn-Phe-NH2
-
IC50 is above 2 mM
Thr-Leu-Asn-Tyr
-
IC50 is about 1 mM
Thr-Phe-Asn-Phe
-
IC50: 0.45 mM
TLNLGF
-
IC50 is above 0.8 mM
U-71017
-
i.e. Poa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
U-71038
-
i.e. Boc-Pro-Phe-Nalpha-MeHis-Leu-PSI[CH(OH)CH2]Val-Ile-Amp
U-79213
-
i.e. Poa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
U-81749E
-
i.e. Tba-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
UIC-94017
-
TMC-114, a broad-spectrum, potent non-peptide inhibitor of HIV-1 protease, the inhibitor shows low cytotoxicity, enzyme binding structure analysis
V-S-F-N-F-r-P-Q-I-T-K-K
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p6pol-PR cleavage site
[1-(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester
-
-
[1-(1-{1-benzyl-3-[2-(1-tert-butylcarbamoyl-2-methyl-butylcarbamoyl)-pyrrolidin-1-yl]-2-methoxy-propylcarbamoyl}-2-carbamoyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
-
IC50: 750 nM
[1-Benzyl-2-hydroxy-4-(3-hydroxy-indan-1-ylcarbamoyl)-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
-
IC50: 0.55 nM
[1-Benzyl-3-(3-benzyl-1-isothiochroman-4-yl-2-oxo-pyrrolidin-3-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
-
IC50: 111 nM
[1-Benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl]-carbamic acid tert-butyl ester
-
IC50: 17 nM
[1-Benzyl-4-(2,2-dioxo-2lambda6-isothiochroman-4-ylcarbamoyl)-2-hydroxy-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
-
IC50: 2.3 nM
{1-benzyl-3-[3-benzyl-1-(2,2-dioxo-2l6-isothiochroman-4-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
-
IC50: 14 nM
{1-benzyl-3-[3-benzyl-1-(2-hydroxy-indan-1-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
-
37 nM
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-piperidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
-
IC50: 18 nM
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
-
IC50: 210 nM
Ace-T-I-Nle-r-Nle-Q-R
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p2-NC cleavage site
Ace-T-I-Nle-r-Nle-Q-R
-
substrate analogue peptide inhibitor
acetyl pepstatin
-
0.1 mg/ml, 98.5% inhibition
acetyl pepstatin
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is most sensitive to mutantion D25N, with DeltaTm ratio for mutant/wild-type of 16.3. Binding is nearly abolished by the mutation D29N
amprenavir
-
-
amprenavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry. Binding is most sensitive to mutantion D25N, with DeltaTm ratio for mutant/wild-type of 35.8
amprenavir
less effective on HIV-2 protease than on HIV-1 protease
atazanavir
-
-
atazanavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
atazanavir
-
study on the use of suboptimal concentrations of inhibitors atazanavir and lopinavir. Even with high levels of inhibition of viral infectivity, IC90, most of the Gag and Gag-Pol polyproteins are processed, although slight but significant increases in processing intermediates of Gag Are detected. Drug treatments cause a significant increase in the proportion of viruses displaying either immature or aberrant mature morphologies. The aberrant mature particles are characterized by an electron-dense region at the viral periphery and an electron-lucent core structure in the viral center. Drug treatments cause only a slight decrease in overall thermodynamic stability of the viral RNA dimer
darunavir
-
-
darunavir
-
mutations in the gag region NC-p1/TFP-p6/p6pol may influence the selection of darunavir resistance mutations. The I437T/V gag mutation that confers resistance to protease inhibitors reduces the selection of such mutations. Virus with L76V in protease or I437T/V in gag may be already resistant to darunavir
darunavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
DMP323
-
-
fosamprenavir
-
-
indinavir
-
IC50: 1.3 nM
indinavir
-
drug used in AIDS therapy, mechanism of drug resistance, overview
indinavir
-
structural analyses of the subtype C protease bound to nelfinavir and indinavir showed that these inhibitors form similar interactions with the residues in the active site of subtype B and C proteases
indinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
indinavir
-
98.8% inhibition at 10 nM
JG365
-
-
KNI-272
-
-
KNI-272
-
transition-state analog
lopinavir
-
-
lopinavir
-
computer simulation of comlex with HIV-1 protease
lopinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
lopinavir
-
study on the use of suboptimal concentrations of inhibitors atazanavir and lopinavir. Even with high levels of inhibition of viral infectivity, IC90, most of the Gag and Gag-Pol polyproteins are processed, although slight but significant increases in processing intermediates of Gag Are detected. Drug treatments cause a significant increase in the proportion of viruses displaying either immature or aberrant mature morphologies. The aberrant mature particles are characterized by an electron-dense region at the viral periphery and an electron-lucent core structure in the viral center. Drug treatments cause only a slight decrease in overall thermodynamic stability of the viral RNA dimer
nelfinavir
-
IC50: 1.9 nM
nelfinavir
-
structural analyses of the subtype C protease bound to nelfinavir and indinavir showed that these inhibitors form similar interactions with the residues in the active site of subtype B and C proteases
nelfinavir
-
in the HIV-1 protease sequence of viral variants resistant to the inhibitor nelfinavir, the mutations D30N and L90M appear frequently
nelfinavir
-
computer simulation of comlex with HIV-1 protease
nelfinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
R-V-L-r-F-E-A-Nle
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the CA/p2 cleavage site
R-V-L-r-F-E-A-Nle
-
substrate analogue peptide inhibitor
ritonavir
-
IC50: 3 nM
ritonavir
-
HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
ritonavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
saquinavir
-
-
saquinavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
tipranavir
-
IC50 is 30 nM, interacts with residues Asp25 and Asp25', and Ile50 and Ile50'
tipranavir
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
U-75875
-
-
U-75875
-
i.e. Noa-His-Cha-PSI[CH(OH)CH2]Val-Ile-Amp
ursolic acid
-
-
ursolic acid
-
dimerization inhibitor
additional information
-
design of tight-binding human immunodeficiency virus type 1 protease inhibitors
-
additional information
-
oxim derivatives containing halogenomethylketone and phenyl moieties are specific HIV-1 protease inhibitors
-
additional information
-
RVL-(reduced peptide bond)-FEA-Nle-NH2 and Ac-TI-Nle-(reduced peptide bond)-Nle-QR-NH2
-
additional information
design of hydrolytically-stable cyclic peptidomimetic inhibitors of HIV-1 protease
-
additional information
substrate-based cyclic peptidomimetics of Phe-Ile-Val that inhibit HIV-1 protease using a novel enzyme-binding mode
-
additional information
-
active site inhibitor binding structure analysis, overview
-
additional information
-
synthesis of diverse prodrugs of the water-soluble dipeptide-type HIV-1 protease inhibitors KNI-727, KNI-272, and KNI-279 by O to N acyl migration, and analysis of the water-solubility and stability of the prodrugs, overview
-
additional information
-
molecular basis for substrate recognition and drug resistance, structure analysis of substrate analogue inhibitors bound to wild-type enzyme, mutant V82A enzyme, and mutant I84V enzyme, overview
-
additional information
-
design of enzyme inhibitors active on multidrug-resistant virus, overview
-
additional information
-
inhibition analysis with eight clinically used protease inhibitors reveales that the natural polymorphisms found in subtype C protease, in combination with drug resistance mutations, can influence enzymatic catalytic efficiency and inhibitor resistance
-
additional information
-
the conformational flexibility of HIV-1 protease inhibitors directly contributes to the enzyme inhibition
-
additional information
-
two possible mechanisms of the irreversible inhibition of HIV-1 protease by epoxide inhibitors are investigated on an enzymatic model using ab initio (MP2) and density functional theory methods (B3LYP, MPW1K and M05-2X). The calculations predict the inhibition as a general acid-catalyzed nucleophilic substitution reaction proceeding by a concerted SN2 mechanism with a reaction barrier of ca. 1521 kcal/mol. The irreversible nature of the inhibition is characterized by a large negative reaction energy of ca. -17-(-24) kcal/mol. A mechanism with a direct proton transfer from an aspartic acid residue of the active site onto the epoxide ring has been shown to be preferred compared to one with the proton transfer from the acid catalyst facilitated by a bridging catalytic water molecule
-
additional information
-
the failure of an HIV protease inhibitor to fit within the substrate envelope appears to correlate with its susceptibility to mutational resistance
-
additional information
-
computational techniques to improve binding affinity are successfully applied to design peptide sequences that bind tighter to inactivated (D25N) HIV-1 protease
-
additional information
-
identification of the native pose of HIV-1 protease inhibitors by quantum mechanical/molecular mechanical models and comparison with the AMBER force field and ChemScore and GoldScore scoring functions. For the discrimination of native from non-native poses, solvent-corrected HF/6-31G:AMBER and AMBER functions exhibit the best overall performance. The electrostatic component of the MM and QM/MM functions appears important for discriminating the native pose of the ligand. There is no advantage to binding mode prediction by incorporating active site polarization at the PM3-D level. Choice of the protonation state of the aspartyl dyad in the HIV-1 protease active site influences the ability of scoring methods to determine the native binding pose
-
additional information
analysis of the differences of binding patterns between the two type HIV proteases, HIV-1 protease and HIV-2 protease, using the interaction entropy (IE) method for the entropy change calculation combined with the polarized force field, and the two inhibitors darunavir and amprenavir. The bridging water W301 is favorable to the binding of HIV-1 complexes, in contrast to HIV-2 protease complexes. The volume of pocket, B-factor of Calpha atoms and the distance of flap tip in HIV-2 complexes are smaller than that of HIV-1 consistently. Predicated hot-spot residues (Ala28/Ala28', Ile50/Ile50', and Ile84/Ile84') are nearly same in the four systems. The contribution to the free energy of Asp30 residue is more favorable in HIV-1 system than in HIV-2 system. Molecular dynamics simulation and binding free energy calculations, and protonation states of the enzymes, overview
-
additional information
-
analysis of the differences of binding patterns between the two type HIV proteases, HIV-1 protease and HIV-2 protease, using the interaction entropy (IE) method for the entropy change calculation combined with the polarized force field, and the two inhibitors darunavir and amprenavir. The bridging water W301 is favorable to the binding of HIV-1 complexes, in contrast to HIV-2 protease complexes. The volume of pocket, B-factor of Calpha atoms and the distance of flap tip in HIV-2 complexes are smaller than that of HIV-1 consistently. Predicated hot-spot residues (Ala28/Ala28', Ile50/Ile50', and Ile84/Ile84') are nearly same in the four systems. The contribution to the free energy of Asp30 residue is more favorable in HIV-1 system than in HIV-2 system. Molecular dynamics simulation and binding free energy calculations, and protonation states of the enzymes, overview
-
additional information
comparison of the HIV-1 protease (PR1) and HIV-2 protease (PR2) binding pockets extracted from structures complexed with 12 ligands, overview. Structural comparison of PR1 and PR2 pockets highlight structural changes induced by their sequence variations. PR2 pockets are more hydrophobic with more oxygen atoms and fewer nitrogen atoms than PR1 pockets. Modelling of PR1 mutant structures containing V32I and L76M substitutions reveals a cooperative mechanism leading to structural deformation of flap-residue 45 that can modify PR2 flexibility. Substitutions in the PR1 and PR2 pockets can modify PI binding and flap flexibility, which might underlie PR2 resistance against PIs
-
additional information
-
comparison of the HIV-1 protease (PR1) and HIV-2 protease (PR2) binding pockets extracted from structures complexed with 12 ligands, overview. Structural comparison of PR1 and PR2 pockets highlight structural changes induced by their sequence variations. PR2 pockets are more hydrophobic with more oxygen atoms and fewer nitrogen atoms than PR1 pockets. Modelling of PR1 mutant structures containing V32I and L76M substitutions reveals a cooperative mechanism leading to structural deformation of flap-residue 45 that can modify PR2 flexibility. Substitutions in the PR1 and PR2 pockets can modify PI binding and flap flexibility, which might underlie PR2 resistance against PIs
-
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0.00011
((S)-1-(N'-(3',5'-difluoro-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000018
((S)-1-(N'-(4'-acetylamino-biphenyl-4-ylmethyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
wild-type protein
0.000008
((S)-1-(N'-(4-benzo[1,3]dioxol-5-yl-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxyindan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000023
((S)-1-(N'-benzyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000082
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-phenethyl-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000017
((S)-1-(N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-[4-(1-methyl-1H-pyrazol-4-yl)-benzyl]-hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000028
((S)-1-(N'-[4-(3,5-dimethyl-isoxazol-4-yl)-benzyl]-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl)-2,2-dimethylpropyl)-carbamic acid methyl ester
-
wild-type protein
0.0000029 - 0.00003
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
0.000012
((S)-1-[N'-biphenyl-4-ylmethyl-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0000017 - 0.000016
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
0.0000012 - 0.000016
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
0.0000023
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-4-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.0006
(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propyl)-carbamic acid benzyl ester
-
-
0.000053
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
-
0.00061
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-4-oxopent-2-enamide
-
-
0.013
(2E)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-4,4,4-trifluoro-3-methylbut-2-enamide
-
-
0.00000038
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide
-
-
0.0000212
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R,5S)-2-hydroxy-5-methylcyclopentyl]amino]-5-oxopentyl]-N-tert-butyl-4-(3-pyridin-3-ylpropanoyl)piperazine-2-carboxamide
-
-
0.0000019
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.0000025
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000062
(2S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000029
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
-
0.00000082
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-2,3-dimethylbutanamide
-
-
0.000000063
(2S)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide
-
-
0.000000004
(2S)-N-[(1S,2R,3S,4S)-1-benzyl-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
0.000000112
(2S)-N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-5-phenylpentyl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
-
-
0.000000063 - 0.000005
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
0.000000011
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
0.000000012
(2S,2'S)-N,N'-[(2S,3S,4S,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
-
-
0.000006 - 0.000012
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
0.0000013 - 0.000009
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
0.0000023 - 0.000014
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
0.0000045
(2S,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl]-N-[(1S)-1-hydroxy-2-phenylethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.00000011
(2S,4S)-N-[(1R,2R)-4-[(1H-benzimidazol-2-ylmethyl)amino]-1-benzyl-2-hydroxy-4-oxobutyl]-2-[(1R)-1-(benzylcarbamoyl)-3-oxo-4-phenylbutyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000053 - 0.00067
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
0.000000068
(3aR,4R,7aS)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000065
(3aR,5r,6aS)-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000005
(3aR,7aR)-octahydro-1-benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000009
(3aR,7aR)-octahydro-1H-inden-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.0000000027
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000001
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000000085
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
-
pH and temperature not specified in the publication
0.00000029
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000099
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
GRL-02031
0.00000031
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000031
(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000011
(3aS,5R,7aR)-hexahydro-4H-furo[2,3-b]pyran-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.00000037
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxypentanamide
-
-
0.00000086
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxypentanamide
-
-
0.00000034
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxypentanamide
-
-
0.012
(3R)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(5-methylisoxazol-4-yl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-methylpent-4-enamide
-
-
0.00000013
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.0000007
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.000000067
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
0.0000025
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
0.00000031
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-3-hydroxy-4-[(4R)-4-[[4-(hydroxymethyl)-2-methylbenzyl]carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.00000101
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-4-[(4-amino-2-methylbenzyl)carbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.0000000052 - 0.00000203
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
0.00000085
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-yl-carbamate
-
-
0.00000028
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl(2S,3R)-4-(4-amino-N-(((S)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000028
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000012
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.000000035
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-3-hydroxy-4-(4-methoxy-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-1-phenylbutan-2-ylcarbamate
-
-
0.00000031
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000085
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((R)-5-oxopyrrolidin-2-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.00000024
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl-(2S,3R)-4-(4-amino-N-(((S)-2-oxooxazolidin-4-yl)methyl)phenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
-
-
0.000002
(3R,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide
-
-
0.0000191
(3R,4S,5S,6S)-2,7-dibenzyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide
-
-
0.0000862
(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
-
-
0.00000021
(3S)-tetrahydrofuran-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.00000143
(4aR,7aS)-octahydrocyclopenta[b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.0000053
(4aS,7aR)-hexahydro-2H-furo[3,4-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
-
pH and temperature not specified in the publication
0.000000041
(4R)-3-[(2S,3S)-2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)carbonyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
-
-
0.0000000055
(4R)-N-tert-butyl-3-[(2S,3S)-3-([(2,6-dimethylphenoxy)acetyl]amino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.0000122
(4R,5S,6S,7S)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one
-
-
0.00000078
(5R)-1,3-dioxepan-5-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000063 - 0.00001054
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000212
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000033
(5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000000008 - 0.0000034
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000236
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000006 - 0.0000035
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000015 - 0.00000169
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.00000002 - 0.00000268
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000113 - 0.00000655
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000319
(5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000004 - 0.0000019
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000317
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000073 - 0.00000204
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000128 - 0.00000957
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000207 - 0.00000956
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000122 - 0.00000389
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000051 - 0.00000476
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000086 - 0.00000245
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.00000013 - 0.0000163
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000006 - 0.0000074
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.00000565 - 0.00006734
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000136 - 0.0000054
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000049 - 0.00000174
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000252
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000235 - 0.00000457
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000286 - 0.00000749
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000196 - 0.00001015
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000206 - 0.0000055
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
0.000000142 - 0.00000436
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000239 - 0.0000106
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000016 - 0.0000125
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000347
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000147
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000117 - 0.00000648
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000167 - 0.00001078
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000025 - 0.00000416
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000033 - 0.00000121
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
0.000000097 - 0.00000186
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000026 - 0.00000338
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000016 - 0.00000296
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.00000015 - 0.0000035
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000232 - 0.00000518
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.00000008 - 0.00000212
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000133 - 0.000003
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000003 - 0.00000245
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000136 - 0.00000571
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000225 - 0.00000995
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
0.000000385
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000736 - 0.00004046
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
0.000000448
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000000075
(hydroxyethyl)amide isostere
-
-
0.461
(R)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
0.00000007
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000134
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000152
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000138
(R)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000163
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3,4-methylenedioxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000255
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.00000031
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.000000311
(R)-N-(2-methylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
-
-
0.0262
(S)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
-
-
0.00000075
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(3-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.000000861
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-ethoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.000000804
(S)-N-(2,6-dimethylbenzyl)-3-[(2S,3S)-2-hydroxy-3-(3-amino-2-chlorobenzoyl)amino-4-(4-methoxyphenyl)-butanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
-
-
0.0343
(S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid tert-butylamide
-
-
0.1486
(S,S,S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid [1-(1-tert-butylcarbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide
-
-
0.000003
1,3,4,7-tetrabenzyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.292
1-(benzyl[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino)-L-prolyl-N-tert-butyl-L-valinamide
-
-
0.099
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-L-prolyl-N-tert-butyl-L-valinamide
-
-
0.574
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-N-tert-butyl-L-prolinamide
-
-
0.0000006
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2,6-diphenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.000003
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-2-methyl-6-phenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.0000012
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-2-propyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.000004
2-[2-[5-[2-(2-amino-propionylamino)-propionylamino]-4-hydroxy-6-phenyl-hexanoylamino]-3-methyl-butyrylamino]-3-methyl-butyric acid methyl ester
-
-
0.00005 - 0.00038
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
0.000042 - 0.00026
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
0.0000023
3-[3-[2-[2-(isoquinolin-5-yloxy)-acetylamino]-3-methylsulfanyl-propionylamino]-2-methoxy-4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid tert-butylamide
-
-
0.000036 - 0.0014
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
0.00007 - 0.00026
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
0.00024
4,7-dibenzyl-1,3-bis(2-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0011
4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000034
4,7-dibenzyl-1,3-bis(2-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000036
4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-bis(3-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00000089
4,7-dibenzyl-1,3-bis(3-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000003
4,7-dibenzyl-1,3-bis(3-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000027
4,7-dibenzyl-1,3-bis(4-bromobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000052
4,7-dibenzyl-1,3-bis(4-chlorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-bis(4-fluorobenzyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000013
4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.000037
4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000043
4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000021
4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00006
4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000014
4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0001
4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00026
4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.0000046
4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one
-
-
0.00011
4,7-dibenzyl-1-decyl-5,6-dihydroxy-3-nonyl-1,3-diazepan-2-one
-
-
0.0019
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.00079
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one
-
-
0.0000072
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000049
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one
-
-
0.00000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxybenzyl)-1,3-diazepan-2-one
-
-
0.00000042
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-iodobenzyl)-1,3-diazepan-2-one
-
-
0.0000016
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.0000071
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbenzyl)-1,3-diazepan-2-one
-
-
0.0000018
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one
-
-
0.0000028
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-nitrobenzyl)-1,3-diazepan-2-one
-
-
0.00000012
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybenzyl)-1,3-diazepan-2-one
-
-
0.00016
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methoxybenzyl)-1,3-diazepan-2-one
-
-
0.0000058
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylbenzyl)-1,3-diazepan-2-one
-
-
0.0000071
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one
-
-
0.00003
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one
-
-
0.000085
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one
-
-
0.00000031
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one
-
-
0.00014
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one
-
-
0.0000098
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one
-
-
0.000089
4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one
-
-
0.0078
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one
-
-
0.004
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one
-
-
0.00000014
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.000022
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[3-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
0.00000034 - 0.0017
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
0.000051
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(trifluoromethyl)benzyl]-1,3-diazepan-2-one
-
-
0.0000052
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-en-1-yl)-1,3-diazepan-2-one
-
-
0.000022
4,7-dibenzyl-5,6-dihydroxy-1,3-di(prop-2-yn-1-yl)-1,3-diazepan-2-one
-
-
0.0058
4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
-
-
0.0000016
4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one
-
-
0.0000079
4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one
-
-
0.00000127
4-amino-N-[(2R,3S)-3-{[(aminooxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]-N-{[(2S)-5-oxopyrrolidin-2-yl]methyl}benzenesulfonamide
-
-
0.0016
4-[[(6-[[(4-aminothiophen-2-yl)carbonyl]amino]-1,3-benzoxazol-2-yl)carbonyl]amino]thiophene-2-carboxylic acid
-
wild-type protein
0.0000052
Ac-His-Gly-Trp-Ile-PSI[N-CH(CH2(CH3)2)-CH(OH)-CH2-CH2-C(O)]-Glu-His-Gly-Asp-NH2
-
-
0.000002 - 0.013
Ace-T-I-Nle-r-Nle-Q-R
0.000022 - 0.000075
Ace-TINlerNleQR
0.00002
acetyl-pepstatin
-
pH 4.7, competitive versus YVSQNFPIVQNR
0.000000021 - 0.0000094
AG1776
0.000027
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.0000001 - 0.0000035
amprenavir
3.36
Arg-Glu-Asp
-
25°C, pH 4.25
0.97
Asp-Asp
-
25°C, pH 4.25
0.14
Asp-Asp-Leu
-
25°C, pH 4.25
0.043
Asp-Asp-Phe
-
25°C, pH 4.4
0.23
Asp-Glu-Leu
-
25°C, pH 4.25
0.27
Asp-Leu-Ala-Phe
-
25°C, pH 4.25
0.000000009 - 0.0000065
atazanavir
0.0000025
bis-[[N-(1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl]-2S-phenyl-3-yl-propionamide] sulfoximine
-
-
0.000000739
compound J
-
-
0.000000005 - 0.000036
darunavir
0.5
E-R-Q-A-N-r-F-L-G-K-I
-
above, wild-type enzyme, mutant V82A enzyme, and mutant I84V enzyme
0.000034
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.098
FLREDLAF
-
25°C, pH 4.25
0.064
GEDLAF
-
25°C, pH 4.25
3.07
Glu-Asn-Leu
-
25°C, pH 4.25
0.05
Glu-Asp-Leu
-
25°C, pH 4.25
0.16
Glu-Asp-Leu-Ala
-
25°C, pH 4.25
0.025
Glu-Asp-Phe
-
25°C, pH 4.25
0.31
Glu-Glu-Leu
-
25°C, pH 4.25
2.01
Glu-Lys-Phe
-
25°C, pH 4.25
0.00000012 - 0.004235
indinavir
0.000000005 - 0.0000061
lopinavir
0.002755
methyl (7S,10R,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
wild-type protein
0.0000032
methyl (7S,10S,16S)-10-benzyl-13-(4-bromobenzyl)-10-hydroxy-7-isopropyl-17,17-dimethyl-6,9,15-trioxo-2-oxa-5,8,13,14-tetraazaoctadecan-16-ylcarbamate
-
wild-type protein
0.00124
methyl (S)-1-(2-((R)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.0022
methyl (S)-1-(2-((R)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.0000029
methyl (S)-1-(2-((S)-3-benzyl-3-hydroxy-4-((S)-3-methyl-1-(methylamino)-1-oxobutan-2-ylamino)-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.0000011
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-2-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.000001
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-3-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.000002
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-(pyridin-4-yl)benzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.0000017
methyl (S)-1-(2-((S)-3-benzyl-4-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-ylamino)-3-hydroxy-4-oxobutyl)-2-(4-bromobenzyl)hydrazinyl)-3,3-dimethyl-1-oxobutan-2-ylcarbamate
-
wild-type protein
0.0061
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
-
wild-type protein
0.000005
methyl [(2S)-1-[2-[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-3-oxopropyl]-2-[4-(pyridin-3-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
wild-type protein
0.0000028
methyl [(2S)-1-[2-[(4R)-4-benzyl-4-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-2-[4-(pyridin-4-yl)benzyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
-
wild-type protein
0.000000289 - 0.00000368
methyl [3-[(5S)-5-([(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
0.000000163 - 0.00000444
methyl [3-[(5S)-5-[[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
0.000128 - 0.001
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
0.00033 - 0.0014
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
0.00046
N-methyl bis-[N-(2,2-dimethyl-8,8a-dihydro-3aH-indeno[(1S,2R)-1,2]-oxazol-3-yl) 2R-benzyl-3-yl propianamide] sulfoximine
-
-
0.0024
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-2-thiophen-3-ylacetamide
-
-
0.0011
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]pyridazine-4-carboxamide
-
-
0.00051
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2,4,5-trifluoro-3-hydroxybenzamide
-
-
0.00058
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-2-methylbenzamide
-
-
0.0011
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4,5-trihydroxybenzamide
-
-
0.00005
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3,4-dihydroxybenzamide
-
-
0.00004
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]propyl]-3-fluoro-2-methylbenzamide
-
-
0.00000013
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-3-hydroxybenzamide
-
-
0.00000024
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-4-oxohexanamide
-
-
0.00000017
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
0.0000015
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-3-hydroxybenzamide
-
-
0.0000042
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-4-oxohexanamide
-
-
0.00000079
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
0.00000012
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-3-hydroxybenzamide
-
-
0.000000062
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-4-oxohexanamide
-
-
0.00000021
N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]cyclopropane-1,1-dicarboxamide
-
-
0.000141
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2,3-dichlorobenzamide
-
-
0.00065
N-[(1S,2R)-1-benzyl-3-[(butylsulfonyl)(3-chlorobenzyl)amino]-2-hydroxypropyl]-2-bromo-3-methylbenzamide
-
-
0.000000027
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
-
0.00000012
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
-
0.00000012
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
0.00000031
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
-
0.0000016
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
-
0.00000021
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
0.000000036
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide
-
-
0.000000063
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-4-oxohexanamide
-
-
0.00000013
N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]cyclopropane-1,1-dicarboxamide
-
-
0.000000062 - 0.000007
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
0.000000039 - 0.0000018
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
0.000000046 - 0.00000192
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
0.000058 - 0.0029
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
0.000024 - 0.000372
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
0.00000058
N1-[1-Benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-3-oxo-propyl]-2-[2-(naphthalen-1-yloxy)-acetylamino]-succinamide
-
-
0.000033
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]propyl]-L-alaninamide
-
-
0.000000084
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]propyl]-L-valinamide
-
-
0.000000038
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](pentyl)amino]propyl]-L-valinamide
-
-
0.000000033
N2-acetyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]propyl]-L-valinamide
-
-
0.000000099
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
0.000000014
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
0.000000057
N2-acetyl-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-L-valinamide
-
-
0.000029 - 0.00027
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
0.000000002 - 0.000000227
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
0.0000006 - 0.00043
N2-[(2S)-2-[(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanoyl]-N-[(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl]-L-valinamide
0.00002
N2-[(2S,4S,5S)-5-(acetylamino)-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoyl]-L-glutaminyl-L-argininamide
-
-
0.00000007 - 0.001259
nelfinavir
0.0000014
pepstatin A
-
about, pH 4.7
0.055
Phe-Asp-Asp-Phe
-
25°C, pH 4.4
0.00035
phenyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.0282 - 0.5
R-P-G-N-F-r-L-Q-S-R-P
0.0000035 - 0.00033
R-V-L-r-F-E-A-Nle
0.000000015 - 0.000097
ritonavir
0.000514 - 0.00217
RVLrFEANle
0.00000004 - 0.00009
saquinavir
0.0000015 - 0.0000041
tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2
0.000033 - 0.001
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2
0.00000015 - 0.000086
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2
0.00000002 - 0.00000026
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2
0.00002
tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.000186
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.0001
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.000019
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-7-methoxy-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate
-
in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C
0.000000001 - 0.0000004
tipranavir
0.000007
U-71017
-
pH 5.5, 30°C, wild-type enzyme
0.000011
U-71038
-
pH 5.5, 30°C, wild-type enzyme
0.000009
U-79213
-
pH 5.5, 30°C, wild-type enzyme
0.00006
U-81749E
-
pH 5.5, 30°C, wild-type enzyme
0.000001 - 0.0000032
UIC-94017
0.0221 - 0.0466
V-S-F-N-F-r-P-Q-I-T-K-K
0.000001
[1-(1-Benzyl-3-benzylcarbamoyl-3,3-difluoro-2-oxo-propylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester
-
-
additional information
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfide
0.0000029
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.00003
((S)-1-[N'-(4-bromo-benzyl)-N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.0000017
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.000016
((S)-1-[N'-[(S)-3-Hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.0000012
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
wild-type protein
0.000016
((S)-1-[N'-[(S)-3-hydroxy-3-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-4-phenyl-butyl]-N'-(4-pyridin-3-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl)-carbamic acid methyl ester
-
L63P/V82T/I84V mutant protein
0.000000063
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
wild-type protein
0.00000088
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
D30N/L63P/N88D mutant protein
0.0000011
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000013
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
I50V/A71V mutant protein
0.000005
(2S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-hydroxy-3-methylbutanamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000006
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
native enzyme
0.000012
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-dicyclohexylhexane-3,4-diol
-
mutant enzyme V82A
0.0000013
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
-
native enzyme
0.000009
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-1,6-diphenylhexane-3,4-diol
-
mutant enzyme V82A
0.0000023
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
-
native enzyme
0.000014
(2S,3S,4S,5S)-2,5-bis[N-[N-[[N-methyl-N-(2-pyridinylmethyl)amino]carbonyl]valinyl] amino]-6-cyclohexyl-1-phenylhexane-3,4-diol
-
mutant enzyme V82A
0.000053
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
wild-type protein
0.00013
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
D30N/L63P/N88D mutant protein
0.00014
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00067
(2Z)-4,4,4-trifluoro-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-3-methylbut-2-enamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000000052
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
GRL-0355
0.00000203
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S)-4-[(4R)-5,5-dimethyl-4-[(2-methylbenzyl)carbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
-
-
0.000000063
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00001054
(5S)-3-(2,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000000008
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.000000039
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000016
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000014
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000034
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000006
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000024
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000072
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000023
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000035
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000015
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000169
(5S)-3-(3-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000002
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000268
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000113
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000655
(5S)-3-(3-aminophenyl)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000004
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000018
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.00000078
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000001
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000019
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000073
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000204
(5S)-3-(4-acetylphenyl)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000128
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000957
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000207
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000956
(5S)-3-(4-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000122
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000389
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000051
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000476
(5S)-3-[3-(acetylamino)phenyl]-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000086
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000245
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000013
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000163
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000006
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000027
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.000001
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000042
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.0000074
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000565
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00006734
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000136
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000054
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000049
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000174
(5S)-N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000235
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000457
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000286
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000749
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000196
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00001015
(5S)-N-[(2S,3R)-3-hydroxy-4-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000206
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000055
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000142
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000436
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000239
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000106
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000016
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
wild-type protein
0.00000059
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
D30N/L63P/N88D mutant protein
0.0000021
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000077
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000125
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
-
I50V/A71V mutant protein
0.000000117
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000648
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-nitrophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000167
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00001078
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000025
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000416
(5S)-N-[(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000033
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000121
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000097
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000186
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000026
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000338
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000016
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000296
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000015
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000035
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000232
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000518
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000008
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000212
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000133
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000003
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000003
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000245
(5S)-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-[3-(methylsulfonyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000136
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000571
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000225
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000995
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000736
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00004046
(5S)-N-[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00005
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
wild-type protein
0.000066
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
D30N/L63P/N88D mutant protein
0.00014
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00038
3,4-dihydroxy-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000042
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
wild-type protein
0.000079
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000085
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
D30N/L63P/N88D mutant protein
0.00026
3-fluoro-N-[(2S,3R)-3-hydroxy-4-[[(3-methoxyphenyl)sulfonyl](thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000036
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
mutant I84V, pH 5.5
0.00026
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
wild-type, pH 5.5
0.0014
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide
-
mutant I50V, pH 5.5
0.00007
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
wild-type, pH 5.5
0.00012
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
mutant I84V, pH 5.5
0.00026
4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis[[4-(trifluoromethyl)benzyl]sulfamoyl]]dibenzamide
-
mutant I50V, pH 5.5
0.00000034
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.0017
4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one
-
-
0.000002
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25°C, mutant L24I
0.0000022
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25°C, wild-type enzyme
0.0000033
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25°C, mutant G73S
0.000041
Ace-T-I-Nle-r-Nle-Q-R
-
pH 5.0, 25°C, mutant I50V
0.00053
Ace-T-I-Nle-r-Nle-Q-R
-
mutant V82A enzyme
0.00217
Ace-T-I-Nle-r-Nle-Q-R
-
wild-type enzyme
0.013
Ace-T-I-Nle-r-Nle-Q-R
-
mutant I84V enzyme
0.000022
Ace-TINlerNleQR
mutant enzyme PRS17, at pH 5.6 and 37°C
0.000024
Ace-TINlerNleQR
mutant enzyme PRV82A, at pH 5.6 and 37°C
0.000075
Ace-TINlerNleQR
wild type enzyme, at pH 5.6 and 37°C
0.000000021
AG1776
-
pH 4.7, 37°C, recombinant LAI wild-type enzyme
0.00000004
AG1776
-
pH 4.7, 37°C, recombinant V6 wild-type enzyme
0.00000019
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant I54V
0.0000005
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant M46I
0.00000055
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant I84V
0.0000022
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I84V
0.0000056
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I54V/I84V
0.0000094
AG1776
-
pH 4.7, 37°C, recombinant V6 mutant I54V/I84V
0.0000001
amprenavir
-
wild-type enzyme
0.0000001
amprenavir
-
wild-type protein
0.00000015
amprenavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00000017
amprenavir
-
-
0.00000017
amprenavir
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.00000021
amprenavir
-
D30N/L63P/N88D mutant protein
0.00000029
amprenavir
-
HIV-1 subtype C protease
0.00000034
amprenavir
-
I50V/A71V mutant protein
0.000000359
amprenavir
-
-
0.00000039
amprenavir
wild type enzyme, at pH 5.0 and 20°C
0.0000004
amprenavir
-
HIV-1 subtype B protease
0.000001
amprenavir
mutant enzyme V32I/I47V/V82I, at pH 4.0 and 28°C
0.0000014
amprenavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000324
amprenavir
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.0000035
amprenavir
mutant enzyme V32I/I47V/V82I, at pH 5.8 and 28°C
0.000000009
atazanavir
-
D30N/L63P/N88D mutant protein
0.000000046
atazanavir
-
wild-type enzyme
0.000000046
atazanavir
-
wild-type protein
0.00000005
atazanavir
-
-
0.00000007
atazanavir
-
HIV-1 subtype B protease
0.00000013
atazanavir
-
HIV-1 subtype C protease
0.00000033
atazanavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.00000048
atazanavir
-
-
0.00000049
atazanavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000005
atazanavir
-
wild-type protein
0.0000065
atazanavir
-
L63P/V82T/I84V mutant protein
0.000017
ATBI
-
natural ATBI
0.07
ATBI
-
recombinant ATBI
0.000000005
darunavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000000008
darunavir
-
wild-type enzyme
0.000000008
darunavir
-
wild-type protein
0.000000025
darunavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000004
darunavir
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.00000004
darunavir
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.000000041
darunavir
-
D30N/L63P/N88D mutant protein
0.00000033
darunavir
-
I50V/A71V mutant protein
0.00000042
darunavir
-
wild-type, pH 5.6, 26°C
0.0000011
darunavir
-
wild-type protein
0.0000022
darunavir
-
mutant I54M, pH 5.6, 26°C
0.000006
darunavir
-
mutant I54V, pH 5.6, 26°C
0.00001
darunavir
-
mutant I50V, pH 5.6, 26°C
0.000036
darunavir
-
mutant G48V, pH 5.6, 26°C
0.00000012
indinavir
-
pH 4.7, wild-type enzyme
0.00000018
indinavir
-
wild-type enzyme
0.00000018
indinavir
-
wild-type protein
0.0000003
indinavir
-
wild-type protein
0.00000049
indinavir
-
wild-type
0.00000054
indinavir
-
pH 5.0, 25°C, wild-type enzyme
0.00000055
indinavir
-
pH 5.0, 25°C, mutant G73S
0.00000073
indinavir
-
D30N/L63P/N88D mutant protein
0.0000012
indinavir
-
mutant V82A
0.0000014
indinavir
-
pH 5.0, 25°C, mutant L24I
0.0000018
indinavir
-
HIV-1 subtype B protease
0.0000031
indinavir
-
pH 4.7, 37°C, recombinant LAI wild-type enzyme
0.0000033
indinavir
-
HIV-1 subtype C protease
0.000021
indinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000027
indinavir
-
pH 5.0, 25°C, mutant I50V
0.000034
indinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000062
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I84V
0.000069
indinavir
-
pH 4.7, 37°C, recombinant V6 wild-type enzyme
0.000219
indinavir
-
mutant V82F/I84V
0.000289
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant I84V
0.000398
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V
0.001963
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I
0.002914
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I54V/I84V
0.004235
indinavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V/I84V
0.000000005
lopinavir
-
wild-type enzyme
0.000000005
lopinavir
-
wild-type protein
0.000000016
lopinavir
-
-
0.000000018
lopinavir
-
pH 4.7, wild-type enzyme
0.00000004
lopinavir
-
D30N/L63P/N88D mutant protein
0.00000011
lopinavir
-
HIV-1 subtype B protease
0.00000019
lopinavir
-
HIV-1 subtype C protease
0.0000009
lopinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000014
lopinavir
-
wild-type protein
0.0000061
lopinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000000289
methyl [3-[(5S)-5-([(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000368
methyl [3-[(5S)-5-([(2S,3R)-4-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000163
methyl [3-[(5S)-5-[[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000444
methyl [3-[(5S)-5-[[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamoyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000128
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
-
mutant I84V, pH 5.5
0.00027
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
-
wild-type, pH 5.5
0.001
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide)
-
mutant I50V, pH 5.5
0.00033
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
-
mutant I84V, pH 5.5
0.00039
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
-
wild-type, pH 5.5
0.0014
N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
-
mutant I50V, pH 5.5
0.000000062
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
wild-type protein
0.00000084
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
D30N/L63P/N88D mutant protein
0.0000035
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000053
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
I50V/A71V mutant protein
0.000007
N-[(2S,3R)-3-hydroxy-4-[[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino]-1-phenylbutan-2-yl]-4-oxohexanamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000039
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
wild-type protein
0.00000012
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
D30N/L63P/N88D mutant protein
0.000000724
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
I50V/A71V mutant protein
0.00000108
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000018
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000046
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
wild-type protein
0.00000031
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
D30N/L63P/N88D mutant protein
0.000000724
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000001713
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00000192
N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide
-
I50V/A71V mutant protein
0.000058
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
wild-type protein
0.00013
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
D30N/L63P/N88D mutant protein
0.0013
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0029
N-[(2S,3R)-4-[(cyclopropylmethyl)(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000024
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
wild-type protein
0.000063
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
D30N/L63P/N88D mutant protein
0.00036
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000372
N-[(2S,3R)-4-[(cyclopropylmethyl)[(3-methoxyphenyl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methylbutanediamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000029
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
D30N/L63P/N88D mutant protein
0.000033
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
wild-type protein
0.000095
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.00027
N2-acetyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[(thiophen-2-ylmethyl)[(2,4,5-trifluorophenyl)sulfonyl]amino]butan-2-yl]-L-alaninamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000000002
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
wild-type protein
0.000000063
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
I50V/A71V mutant protein
0.000000094
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
D30N/L63P/N88D mutant protein
0.000000117
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000227
N2-acetyl-N-[(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-L-valinamide
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000006
N2-[(2S)-2-[(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanoyl]-N-[(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl]-L-valinamide
-
-
0.00043
N2-[(2S)-2-[(3R)-5-[(1S)-1-(L-alanylamino)ethyl]-3-benzyl-2,3,6,7-tetrahydro-1H-azepin-1-yl]propanoyl]-N-[(1S,2S,4R)-1-benzyl-2-hydroxy-4-[5-(2-methylpropanoyl)-1H-imidazol-2-yl]-5-phenylpentyl]-L-valinamide
-
-
0.00000007
nelfinavir
-
pH 4.7, wild-type enzyme
0.00000028
nelfinavir
-
wild-type enzyme
0.00000028
nelfinavir
-
wild-type protein
0.00000052
nelfinavir
-
wild-type
0.0000009
nelfinavir
-
mutant V82A
0.000000931
nelfinavir
-
-
0.0000012
nelfinavir
-
pH 4.7, 37°C, recombinant LAI wild-type enzyme
0.0000017
nelfinavir
-
HIV-1 subtype B protease
0.0000027
nelfinavir
-
HIV-1 subtype C protease
0.0000035
nelfinavir
-
D30N/L63P/N88D mutant protein
0.000015
nelfinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000017
nelfinavir
-
pH 4.7, 37°C, recombinant V6 wild-type enzyme
0.000019
nelfinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000023
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V
0.000024
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant I84V
0.000052
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I84V
0.000056
nelfinavir
-
mutant V82F/I84V
0.000116
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I
0.000563
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I54V/I84V
0.001259
nelfinavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V/I84V
0.0282
R-P-G-N-F-r-L-Q-S-R-P
-
mutant V82A enzyme
0.0967
R-P-G-N-F-r-L-Q-S-R-P
-
wild-type enzyme
0.5
R-P-G-N-F-r-L-Q-S-R-P
-
above, mutant I84V enzyme
0.0000035
R-V-L-r-F-E-A-Nle
-
pH 5.0, 25°C, mutant L24I
0.000024
R-V-L-r-F-E-A-Nle
-
mutant V82A enzyme
0.000075
R-V-L-r-F-E-A-Nle
-
wild-type enzyme
0.000075
R-V-L-r-F-E-A-Nle
-
pH 5.0, 25°C, wild-type enzyme
0.00023
R-V-L-r-F-E-A-Nle
-
pH 5.0, 25°C, mutant I50V
0.000275
R-V-L-r-F-E-A-Nle
-
mutant I84V enzyme
0.00033
R-V-L-r-F-E-A-Nle
-
pH 5.0, 25°C, mutant G73S
0.000000015
ritonavir
-
pH 4.7, wild-type enzyme
0.000000055
ritonavir
-
wild-type enzyme
0.000000055
ritonavir
-
wild-type protein
0.00000007
ritonavir
-
HIV-1 subtype B protease
0.000000098
ritonavir
-
-
0.00000027
ritonavir
-
HIV-1 subtype C protease
0.00000046
ritonavir
-
D30N/L63P/N88D mutant protein
0.0000005
ritonavir
-
wild-type
0.0000007
ritonavir
-
pH 4.7, 37°C, recombinant LAI wild-type enzyme
0.0000008
ritonavir
-
wild-type protein
0.00000108
ritonavir
-
mutant V82A
0.0000028
ritonavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000003
ritonavir
-
pH 4.7, 37°C, recombinant V6 wild-type enzyme
0.000003
ritonavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000065
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I
0.0000109
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V
0.0000165
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant I84V
0.0000345
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I84V
0.0000624
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant M46I/I54V/I84V
0.0000932
ritonavir
-
pH 4.7, 37°C, recombinant V6 mutant I54V/I84V
0.000097
ritonavir
-
mutant V82F/I84V
0.000514
RVLrFEANle
mutant enzyme PRS17, at pH 5.6 and 37°C
0.00053
RVLrFEANle
mutant enzyme PRV82A, at pH 5.6 and 37°C
0.00217
RVLrFEANle
wild type enzyme, at pH 5.6 and 37°C
0.00000004
saquinavir
-
pH 4.7, wild-type enzyme
0.000000065
saquinavir
-
wild-type enzyme
0.000000065
saquinavir
-
wild-type protein
0.00000007
saquinavir
mutant enzyme V32I/I47V/V82I, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.00000011
saquinavir
wild type enzyme, in 0.5 M potassium phosphate buffer, pH 5.6, containing 10% (v/v) glycerol, 2 mM EDTA, 10 mM dithiothreitol, 4 M NaCl, at 37°C
0.000000138
saquinavir
-
-
0.0000002
saquinavir
-
pH 5.0, 37°C, wild-type enzyme
0.0000002
saquinavir
-
wild-type protein
0.00000058
saquinavir
-
wild-type, pH 5.6, 26°C
0.0000006
saquinavir
-
pH 5.0, 37°C, mutant enzyme G48V
0.00000062
saquinavir
-
wild-type
0.00000097
saquinavir
-
mutant V82A
0.000001
saquinavir
-
D30N/L63P/N88D mutant protein
0.0000016
saquinavir
-
mutant I54M, pH 5.6, 26°C
0.0000022
saquinavir
-
HIV-1 subtype B protease
0.0000026
saquinavir
-
HIV-1 subtype C protease
0.0000027
saquinavir
-
pH 5.0, 37°C, mutant enzyme G48V
0.000005
saquinavir
-
mutant I54V, pH 5.6, 26°C
0.000017
saquinavir
-
mutant G48V, pH 5.6, 26°C
0.000018
saquinavir
-
mutant I50V, pH 5.6, 26°C
0.000029
saquinavir
-
mutant V82F/I84V
0.000078
saquinavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.0000837
saquinavir
-
pH 5.0, 37°C, mutant enzyme G48V/L90M
0.00009
saquinavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.0000015
tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2
-
wild-type enzyme
0.0000041
tert-butoxycarbonyl-Phe-psi[CH2CH2NH]-Phe-Glu-Phe-NH2
-
mutant A71V/V82T/I84V enzyme
0.000033
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2
-
wild-type enzyme
0.001
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Gln-Phe-NH2
-
mutant A71V/V82T/I84V enzyme
0.00000015
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2
-
wild-type enzyme
0.000086
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2NH]-Phe-Glu-Phe-NH2
-
mutant A71V/V82T/I84V enzyme
0.00000002
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2
-
wild-type enzyme
0.00000026
tert-butoxycarbonyl-Phe-psi[S-CH(OH)CH2]-Phe-Gln-Phe-NH2
-
mutant A71V/V82T/I84V enzyme
0.000000001
tipranavir
-
D30N/L63P/N88D mutant protein
0.000000014
tipranavir
-
L10I/G48V/I54V/L63P/V82A mutant protein
0.000000019
tipranavir
-
-
0.000000032
tipranavir
-
L10I/L63P/A71V/G73S/I84V/L90M mutant protein
0.000000088
tipranavir
-
wild-type enzyme
0.000000088
tipranavir
-
wild-type protein
0.00000011
tipranavir
-
HIV-1 subtype C protease
0.0000004
tipranavir
-
HIV-1 subtype B protease
0.000001
UIC-94017
-
pH 5.0, mutant Q7K/L33I/L63I/C67A/C95A
0.0000013
UIC-94017
-
pH 5.0, mutant V82A
0.0000032
UIC-94017
-
pH 5.0, mutant I84V
0.0221
V-S-F-N-F-r-P-Q-I-T-K-K
-
wild-type enzyme
0.0363
V-S-F-N-F-r-P-Q-I-T-K-K
-
mutant V82A enzyme
0.0466
V-S-F-N-F-r-P-Q-I-T-K-K
-
mutant I84V enzyme
additional information
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfide
-
87% inhibition at 0.01 mM
additional information
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoxide
-
90% inhibition at 0.01 mM
additional information
bis-[(L-valine-N-methylamide)-2-phenyl-3-yl-propionamide] sulfoximine
-
99% inhibition at 0.01 mM
additional information
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
51% inhibition at 0.01 mM
additional information
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
50% inhibition at 0.01 mM
additional information
bis-[[N-(2R)-phenylglycinol]-2-phenyl-3-yl-propionamide]sulfoximine
-
54% inhibition at 0.01 mM
additional information
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfide
-
41% inhibition at 0.01 mM
additional information
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoxide
-
47% inhibition at 0.01 mM
additional information
bis-[[N-(2S)-phenylglycinol]-2-phenyl-3-yl-propionamide] sulfoximine
-
87% inhibition at 0.01 mM
additional information
additional information
-
kinetic and thermodynamic characterization of HIV-1 protease inhibitors using a biosensor-based method, overview
-
additional information
additional information
-
influence of mutations (D30N, N88D, L90M, A71V, D30N/A71V, D30N/N88D, D30N/L90M, D30N/L63P/A71V/L90M) on the Ki-values for saquinavir, ritonavir, indinavir, nelfinavir, and lopinavir
-
additional information
additional information
-
influence of mutations (D30N, N88D, L90M, D30N/L90M, D30N/N88D, N88D/L90M) on Ki-values for ritonavir, indinavir, nelfinavir, saquinavir, amprenavir, lopinavir, atazanavir, tipranavir
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
0.025
(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-(1-[(2S)-1-[(2-ammonioethyl)amino]-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl)-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanamine
Human immunodeficiency virus 1
-
-
0.072
(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethanaminium
Human immunodeficiency virus 1
-
-
0.06
(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
Human immunodeficiency virus 1
-
-
0.131
(1S)-2-methyl-1-[1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]propan-1-amine
Human immunodeficiency virus 1
-
-
0.129
(1S)-2-methyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]propan-1-aminium
Human immunodeficiency virus 1
-
-
0.078
(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanaminium
Human immunodeficiency virus 1
-
-
0.029
(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1S)-2-phenyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethyl]-1H-1,2,3-triazol-4-yl]ethanamine
Human immunodeficiency virus 1
-
-
0.00000079
(2S)-N-[(4S,7S,10S,11R,12R,13S)-10-benzyl-11,12-dihydroxy-4-(naphthalen-1-ylmethyl)-2,2-dioxido-5,8-dioxo-14-phenyl-7-(propan-2-yl)-2l6-thia-3,6,9-triazatetradecan-13-yl]-3-methyl-2-[[(2S)-2-[(methylsulfonyl)amino]-3-(naphthalen-1-yl)propanoyl]amino]butanamide)
Human immunodeficiency virus 1
-
-
0.0000022
(2S,2'S)-N,N'-[(2R,3R)-2,3-dihydroxybutane-1,4-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000004
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(1,3-benzodioxol-5-yl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.000018
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-1,6-bis(2,4-dimethoxyphenyl)-3,4-dihydroxyhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000029
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-bis(4-hydroxyphenyl)hexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.00000085
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000032
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.000022
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.00000034
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(4-methoxybenzyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000005
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3,3-dimethylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000003
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000004
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]pentanamide)
Human immunodeficiency virus 1
-
-
0.000004
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[3-(tert-butylsulfonyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.000038
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[(naphthalen-1-yloxy)acetyl]amino]butanamide)
Human immunodeficiency virus 1
-
-
0.000004
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[3-(pyridin-4-ylsulfonyl)propanoyl]amino]butanamide)
Human immunodeficiency virus 1
-
-
0.000015
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide)
Human immunodeficiency virus 1
-
-
0.00034
(2S,2'S)-N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis[2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanamide]
Human immunodeficiency virus 1
-
-
0.00014
(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-di(pyridin-4-yl)octane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.00036
(2S,2'S)-N,N'-[(3S,4R,5R,6S)-4,5-dihydroxy-1,8-diphenyloctane-3,6-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.000001
(2S,2'S)-N,N'-[(6S,7R,8R,9S)-7,8-dihydroxytetradecane-6,9-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0001
(2S,2'S)-N1,N1'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]butanediamide)
Human immunodeficiency virus 1
-
-
0.000019
(3aR,4R,7aS)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000008
(3aR,7aR)-octahydro-1-benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.001
(3aR,7aR)-octahydro-1H-inden-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
IC50 above 0.001 mM, pH and temperature not specified in the publication
0.0000005
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000065
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000045
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.05
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-(2-phenylethyl)-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.38
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-3-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.02
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-isobutyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.47
(3R,4aR,8aR)-N-tert-butyl-2-[(R)-2-hydroxy-3-(N-propyl-4-aminophenylsulfonamido)propyl]decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.0000014
(3R,6S,9S,10R,11R,12S,15S,18R)-3,9,12,18-tetrabenzyl-10,11-dihydroxy-4,7,14,17-tetraoxo-6,15-di(propan-2-yl)-5,8,13,16-tetraazaicosane-1,20-dioic acid
Human immunodeficiency virus 1
-
-
0.000015
(3S,4aS,8aS)-2-((2R,3S)-4-(benzo[b]thiophen-2-yl)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)butyl)-N-tert-butyldecahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.004
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-3-(4-phenylthiophen-2-yl)propyl)decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.000006
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(4-phenylthiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.0000029
(3S,4aS,8aS)-N-tert-butyl-2-((2R,3S)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(thiophen-2-yl)butyl)decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
wild-type protein, with 1 nM: 34% residual activity of wild-type protein, 97% residual activity of V32I mutant protein and 60% residual activity of V82A mutant protein, with 10 nM: 5% residual activity of wild-type protein and 32% residual activity of V32I mutant protein
0.03
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(thiophen-2-yl)butyl]decahydroisoquinoline-3-carboxamide
Human immunodeficiency virus 1
-
-
0.0198
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl](4-phenylbutanoyl)amino)methyl)pyrrolidinium
Human immunodeficiency virus 1
-
IC50 is 0.0198 mM, binding structure analysis, modelling
0.0221
(3S,4S)-3-((benzyl[(2-bromo-4,5-dimethoxyphenyl)carbonyl]amino)methyl)-4-(([2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino)methyl)pyrrolidinium
Human immunodeficiency virus 1
-
IC50 is 0.0221 mM, binding structure analysis, modelling
0.00016
(4-[4-hydroxy-2-oxo-3-[(2-phenylethyl)sulfanyl]-2H-pyran-6-yl]phenoxy)acetic acid
Human immunodeficiency virus 1
-
-
0.001
(4aS,7aR)-hexahydro-2H-furo[3,4-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Human immunodeficiency virus 1
-
IC50 above 0.001 mM, pH and temperature not specified in the publication
0.0166
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0118
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2,5-dimethoxyphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.013
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(2-methoxyphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0101
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3,4,5-trimethoxyphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0152
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(3-methoxyphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000154
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methoxyphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000139
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-(4-methylphenyl)-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0148
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-phenyl-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0101
(4R)-4-([[(2S,3R)-4-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]oxy)-N-tert-butyl-L-prolinamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000000008 - 0.00000184
(5S)-3-(3-aminophenyl)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)-(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxooxazolidine-5-carboxamide
0.000000006 - 0.00000283
(5S)-3-[3-(acetylamino)phenyl]-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)-propyl]-2-oxooxazolidine-5-carboxamide
0.000000026 - 0.00000187
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-((phenylmethyl)propyl)aminocarbonyl]-2-oxo-((3-oxazolidinyl)phenyl)carbamic acid methyl ester
0.000000015 - 0.00000093
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-nitrophenyl)-2-oxooxazolidine-5-carboxamide
0.00000074
(5S,8S,11S,12R,13R,14S,17S)-11,14-dibenzyl-17-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-8-(2-carboxyethyl)-12,13-dihydroxy-2,2-dimethyl-5-(naphthalen-1-ylmethyl)-6,9,16-trioxo-3l6-thia-7,10,15-triazaicosan-20-oic acid 3,3-dioxide
Human immunodeficiency virus 1
-
-
0.0000073 - 0.00013
(6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
0.0000062
(6S)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.543
(R)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
Human immunodeficiency virus 1
-
-
0.0015
(R)-N1-((1R,2R)-3-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2-(1H)-yl)-2-hydroxy-1-(4-phenylthiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
Human immunodeficiency virus 1
-
-
0.0000006
(R)-N1-((2S,3R)-1-(benzo[b]thiophen-2-yl)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxybutan-2-yl)-2-(quinoline-2-carboxamido)succinamide
Human immunodeficiency virus 1
-
wild-type protein, with 1 nM: 53% residual activity of wild-type protein, 54% residual activity of V32I mutant protein and 37% residual activity of V82A mutant protein
0.005
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-2-hydroxy-1-(thiophen-2-yl)propyl)-2-(quinoline-2-carboxamido)succinamide
Human immunodeficiency virus 1
-
-
0.0000012
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(4-phenylthiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
Human immunodeficiency virus 1
-
-
0.000021
(R)-N1-((2S,3R)-4-((3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl)-3-hydroxy-1-(thiophen-2-yl)butan-2-yl)-2-(quinoline-2-carboxamido)succinamide
Human immunodeficiency virus 1
-
-
0.0372
(S)-1-benzyl-3-(1-benzyl-2-oxo-ethyl)-1-piperidin-1-yl-urea
Human immunodeficiency virus 1
-
-
0.0000003
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-hydroxybutanamide)
Human immunodeficiency virus 1
-
-
0.0000003
(S,2S,2'S,3R,3'R)-N,N'-((2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl)bis(2-((S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanamido)-3-methylpentanamide)
Human immunodeficiency virus 1
-
-
0.0445
(S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
-
0.169
(S,S,S,S)-1-[1-benzyl-3-(1-benzyl-2-oxo-ethyl)-ureido]-pyrrolidine-2-carboxylic acid [1-(1-tert-butylcarbamoyl-2-methyl-propylcarbamoyl)-2-methyl-butyl]-amide
Human immunodeficiency virus 1
-
-
0.341
1-(benzyl[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]amino)-L-prolyl-N-tert-butyl-L-valinamide
Human immunodeficiency virus 1
-
-
0.101
1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]-2-phenylethyl]-1H-1,2,3-triazol-4-yl]propyl]-4-(2-phenylethyl)-1H-1,2,3-triazole
Human immunodeficiency virus 1
-
-
0.204
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-L-prolyl-N-tert-butyl-L-valinamide
Human immunodeficiency virus 1
-
-
0.545
1-[(3R)-3-benzyl-3-([N-[(benzyloxy)carbonyl]-L-valyl]amino)-4-oxobutyl]-N-tert-butyl-L-prolinamide
Human immunodeficiency virus 1
-
-
0.00000013
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(4-oxo-4H-chromene-2-carbonyl)-piperazine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 0.13 nM
0.000018
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(naphthalen-2-yloxy)-pyrrolidine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 18 nM
0.00000003
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(quinoline-8-sulfonyl)-piperazine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 0.03 nM
0.00000041
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-pyridin-3-ylmethyl-piperazine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 0.41 nM
0.000038
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 38 nM
0.00008
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperidine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 80 nM
0.00035
1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-pyrrolidine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 350 nM
0.019
2'-([4-[3-(4-bromophenyl)propanoyl]phenyl]acetyl)biphenyl-2-carboxylic acid
Human immunodeficiency virus 1
-
-
0.00000089
2,3,4,5,5-pentahydroxy-N-[(2S,5S,8S,9R,10R,11S,14S,17S)-8,11,17-tribenzyl-9,10,20,21,22,23,23-heptahydroxy-3,6,13,16,19-pentaoxo-1-phenyl-5,14-di(propan-2-yl)-4,7,12,15,18-pentaazatricosan-2-yl]pentanamide
Human immunodeficiency virus 1
-
-
0.0000017
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclohexylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
Human immunodeficiency virus 1
-
-
0.0000003
2,5-bis[[(2S)-2-[[(2S)-3-(tert-butylsulfonyl)-2-(naphthalen-1-ylmethyl)propanoyl]amino]-2-cyclopentylacetyl]amino]-1,2,5,6-tetradeoxy-1,6-diphenyl-L-iditol
Human immunodeficiency virus 1
-
-
0.000025
2,6-dimethylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 25 nM
0.000028
2,6-dimethylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 28 nM
0.0081
2-(2,5-dichlorobenzoyl)-4,5-dihydroxybenzoic acid
Human immunodeficiency virus 1
-
-
0.029
2-(3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate
Human immunodeficiency virus 1
-
-
0.0069
2-(4-chlorophenyl)-7-hydroxyquinoline-4-carboxylic acid
Human immunodeficiency virus 1
-
-
0.0102
2-hydroxy-6-pentadecylbenzoic acid
Human immunodeficiency virus 1
-
-
0.0249
2-hydroxy-6-[(8Z)-pentadec-8-en-1-yl]benzoic acid
Human immunodeficiency virus 1
-
-
0.009
2-hydroxyphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-2-hydroxyphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.009 mM
0.007
2-hydroxyphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-2-hydroxyphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.007 mM
0.017
2-O-acetyldryopteric acid A
Human immunodeficiency virus 1
-
-
0.0108
2-O-acetyldryopteric acid B
Human immunodeficiency virus 1
-
-
0.0178
2-[(10Z)-heptadec-10-en-1-yl]-6-hydroxybenzoic acid
Human immunodeficiency virus 1
-
-
0.0000035
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.0000092
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000024
3-(2,5-diethoxyphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000126
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000065
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000196
3-(2,5-dimethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000059
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000089
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.00007
3-(2-chlorophenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.0001
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000022
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000238
3-(2-ethylphenylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.00026
3-(benzylsulfanyl)-4-hydroxy-6,6-diphenyl-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0017
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00006
3-(benzylsulfanyl)-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000128
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000073
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000032
3-(benzylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000064
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000061
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenylpyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.00024
3-(o-tolylthio)-5,6-dihydro-4-hydroxy-6-phenyl-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.12
3-benzyl-4-hydroxy-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.0000098
3-[(2-tert-butyl-5-methylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000017
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0000036
3-[(2-tert-butylphenyl)sulfanyl]-4-hydroxy-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00048
3-[(benzylsulfanyl)(phenyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000084
3-[1-(benzylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00026
3-[1-(benzylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00015
3-[1-(cyclohexylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000069
3-[1-(cyclopentylsulfanyl)-2-cyclopropylethyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000058
3-[1-(cyclopentylsulfanyl)-3-methylbutyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00023
3-[cyclopentyl(cyclopentylsulfanyl)methyl]-4-hydroxy-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00052
4,7-dihydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.023
4-acetylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.023 mM
0.019
4-acetylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.019 mM
2
4-Benzyl-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide
Human immunodeficiency virus 1
-
IC50: 2.0 mM
0.08
4-formylphenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-4-acetylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.08 mM
0.068
4-formylphenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-4-acetylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.068 mM
0.018
4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.0023
4-hydroxy-3-(3-phenoxypropyl)-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.11
4-hydroxy-3-(4-phenylbutyl)-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.00042
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000073
4-hydroxy-3-[(2-methylphenyl)sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.026
4-hydroxy-3-[3-(phenylsulfanyl)propyl]-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.00041
4-hydroxy-3-[3-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0017
4-hydroxy-3-[4-(2-methoxyphenyl)butyl]-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.000096
4-hydroxy-6-(3-methylbutyl)-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000007
4-hydroxy-6-(3-methylphenyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00052
4-hydroxy-6-(4-hydroxyphenyl)-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000084
4-hydroxy-6-pentyl-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.003
4-hydroxy-6-phenyl-3-(phenylsulfanyl)-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0013
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0021
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0051
4-hydroxy-6-phenyl-3-[(2-phenylethyl)sulfanyl]-6-propyl-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00078
4-hydroxy-6-phenyl-3-[phenyl(phenylsulfanyl)methyl]-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000037
4-hydroxy-6-phenyl-3-[[2-(propan-2-yl)phenyl]sulfanyl]-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00013
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-(phenylsulfanyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.000014
4-hydroxy-6-phenyl-6-(2-phenylethyl)-3-[[2-(propan-2-yl)phenyl]sulfanyl]-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0019
4-hydroxy-7,8-dimethyl-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one
Human immunodeficiency virus 1
-
-
0.0000001
4-oxo-4H-chromene-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
Human immunodeficiency virus 1
-
IC50: 0.1 nM
0.000159
5,6-dihydro-4-hydroxy-6-((naphthalen-1-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000126
5,6-dihydro-4-hydroxy-6-((naphthalen-2-yloxy)methyl)-6-phenyl-3-(phenylthio)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.000258
5,6-dihydro-4-hydroxy-6-phenyl-3-(phenylthio)-6-((phenylthio)methyl)pyran-2-one
Human immunodeficiency virus 1
-
in 0.1 M MES, 0.2 M NaCl, 5 mM EDTA, pH 5.5, temperature not specified in the publication
0.029
5-(3-chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one
Human immunodeficiency virus 1
-
-
0.0058
5-tridecylbenzene-1,3-diol
Human immunodeficiency virus 1
-
-
0.0026
5-[(8Z)-pentadec-8-en-1-yl]benzene-1,3-diol
Human immunodeficiency virus 1
-
-
0.000005
5-[4-hydroxy-6-oxo-2-phenyl-5-[(2-phenylethyl)sulfanyl]-3,6-dihydro-2H-pyran-2-yl]pentanoic acid
Human immunodeficiency virus 1
-
-
0.19
Ac-HMSFNL
Human immunodeficiency virus 1
-
IC50: 0.19 mM
0.44
Ac-QIGMTLNF
Human immunodeficiency virus 1
-
IC50: 0.44 mM
1.5
Ac-TLNF
Human immunodeficiency virus 1
-
IC50: 1.5 mM
2
Ac-TLNF-NH2
Human immunodeficiency virus 1
-
IC50 is above 2 mM
0.08
Ac-TVSFNF
Human immunodeficiency virus 1
-
IC50: 0.08 mM
0.00009
acetyl-pepstatin
Human immunodeficiency virus 1
-
-
0.87
Arg-Leu-Asn-Phe
Human immunodeficiency virus 1
-
IC50: 0.87 mM
0.000002
benzyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-1-phenyl-5-(propan-2-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
Human immunodeficiency virus 1
-
-
0.000000008 - 0.000000025
darunavir
0.0265
dryopteric acid A
Human immunodeficiency virus 1
-
-
0.0445
dryopteric acid B
Human immunodeficiency virus 1
-
-
0.41
IGRNLLTQIGCTLNF
Human immunodeficiency virus 1
-
IC50: 0.41 mM
0.0000013 - 0.0015
indinavir
0.0000063
KVS-1
Human immunodeficiency virus 1
-
-
0.000003
Kyn-(D-alpha-(2-thienyl)glycine)-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 3 nM
0.000004
Kyn-Thr-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 4 nM
0.000003
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 3 nM
0.000004
Kyn-Val-Phe-PSI(S,R,S)[OH]-Phe-Val-Kyn
Human immunodeficiency virus 1
-
IC50: 4 nM
0.000003
Kyn-Val-Phe-PSI(S,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 3 nM
0.67
L-700,417
Human immunodeficiency virus 1
-
IC50: 0.67 mM
0.0000078
L-704,486
Human immunodeficiency virus 1
-
IC50: 7.8 nM
0.00000009 - 0.0000009
lopinavir
0.0389
manassantin A
Human immunodeficiency virus 1
-
-
0.0106 - 0.0172
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
0.0000024
morpholine-4-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
Human immunodeficiency virus 1
-
IC50: 2.4 nM
0.00000079
N,N'-[(2S,3R,4R,5S)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(2-[[(2S)-3-(tert-butylsulfonyl)-2-(pyridin-4-ylmethyl)propanoyl]amino]-3-methylbutanamide)
Human immunodeficiency virus 1
-
-
0.0000013
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-isonicotinamide
Human immunodeficiency virus 1
-
IC50: 1.3 nM
0.0000008
N-(1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-nicotinamide
Human immunodeficiency virus 1
-
IC50: 0.8 nM
0.0000004
N-[(2R,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000000007
N-[(2S,6S)-6-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-7-hydroxyheptan-2-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000000013
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-1,8-dihydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000001
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxy-2-methyloctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.000000016
N-[(3S,7S)-7-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-8-hydroxyoctan-3-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000001
N-[(4S,8S)-8-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-9-hydroxynonan-4-yl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000005
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.00000003
N-[(5S)-5-[[(4-aminophenyl)sulfonyl](3-methylbutyl)amino]-6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide
Human immunodeficiency virus 1
-
pH and temperature not specified in the publication
0.0000019 - 0.00024
nelfinavir
0.000041
pepstatin
Human immunodeficiency virus 1
-
-
0.017
phenoxyacetyl-Phe-PSI(S,R,S)[OH]-Phe-phenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.017 mM
0.005
phenoxyacetyl-Phe-PSI(S,S,S)[OH]-Phe-phenoxyacetyl
Human immunodeficiency virus 1
-
IC50: 0.005 mM
0.0000013
pyridin-3-ylmethyl [(5S,8S,9R,10R,11S,14S)-8,11-dibenzyl-9,10-dihydroxy-15-methyl-3,6,13-trioxo-5-(propan-2-yl)-1-(pyridin-3-yl)-2-oxa-4,7,12-triazahexadecan-14-yl]carbamate
Human immunodeficiency virus 1
-
-
0.0000046
pyridine-2-carboxylic acid (1-{1-benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propylcarbamoyl}-2-methyl-propyl)-amide
Human immunodeficiency virus 1
-
IC50: 4.6 nM
0.0121
rac-(3S,4S)-N-benzyl-2-(2,6-dimethyl-phenoxy)-N-4-[[(isobutyl-(toluene-4-sulfonyl)-amino)-methyl]-pyrrolidin-3-ylmethyl]-acetamide
Human immunodeficiency virus 1
-
IC50 is 0.0121 mM, binding structure analysis, modelling
0.0033
rac-(3S,4S)-N-[4-([4-amino-benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
Human immunodeficiency virus 1
-
IC50 is 0.0033 mM, binding structure analysis, modelling
0.0022
rac-(3S,4S)-N-[4-([benzenesulfonyl-isobutyl-amino]-methyl)-pyrrolidin-3-ylmethyl]-N-benzyl-2-(2,6-dimethyl-phenoxy)-acetamide
Human immunodeficiency virus 1
-
IC50 is 0.0022 mM, binding structure analysis, modelling
0.00000125 - 0.00025
ritonavir
0.8
RTLNLGL
Human immunodeficiency virus 1
-
IC50 is above 0.8 mM
0.00000012 - 0.000012
saquinavir
0.0056
saururin B
Human immunodeficiency virus 1
-
-
0.47
Ser-Leu-Asn-Phe
Human immunodeficiency virus 1
-
IC50: 0.47 mM
0.28
SFNL
Human immunodeficiency virus 1
-
IC50: 0.28 mM
0.31
SFNLE
Human immunodeficiency virus 1
-
IC50: 0.31 mM
0.38
Thr-Leu-Asn-Leu
Human immunodeficiency virus 1
-
IC50: 0.38 mM
2
Thr-Leu-Asn-Phe-NH2
Human immunodeficiency virus 1
-
IC50 is above 2 mM
1
Thr-Leu-Asn-Tyr
Human immunodeficiency virus 1
-
IC50 is about 1 mM
0.45
Thr-Phe-Asn-Phe
Human immunodeficiency virus 1
-
IC50: 0.45 mM
0.00003
tipranavir
Human immunodeficiency virus 1
-
IC50 is 30 nM, interacts with residues Asp25 and Asp25', and Ile50 and Ile50'
0.8
TLNLGF
Human immunodeficiency virus 1
-
IC50 is above 0.8 mM
0.0089
ursolic acid
Human immunodeficiency virus 1
-
-
0.00075
[1-(1-{1-benzyl-3-[2-(1-tert-butylcarbamoyl-2-methyl-butylcarbamoyl)-pyrrolidin-1-yl]-2-methoxy-propylcarbamoyl}-2-carbamoyl-ethylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
Human immunodeficiency virus 1
-
IC50: 750 nM
0.00000055
[1-Benzyl-2-hydroxy-4-(3-hydroxy-indan-1-ylcarbamoyl)-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
Human immunodeficiency virus 1
-
IC50: 0.55 nM
0.000111
[1-Benzyl-3-(3-benzyl-1-isothiochroman-4-yl-2-oxo-pyrrolidin-3-yl)-2-hydroxy-propyl]-carbamic acid tert-butyl ester
Human immunodeficiency virus 1
-
IC50: 111 nM
0.000017
[1-Benzyl-3-[3-benzyl-1-(2-hydroxy-5-methyl-cyclopentyl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl]-carbamic acid tert-butyl ester
Human immunodeficiency virus 1
-
IC50: 17 nM
0.0000023
[1-Benzyl-4-(2,2-dioxo-2lambda6-isothiochroman-4-ylcarbamoyl)-2-hydroxy-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester
Human immunodeficiency virus 1
-
IC50: 2.3 nM
0.000014
{1-benzyl-3-[3-benzyl-1-(2,2-dioxo-2l6-isothiochroman-4-yl)-2-oxo-pyrrolidin-3-yl]-2-hydroxy-propyl}-carbamic acid tert-butyl ester
Human immunodeficiency virus 1
-
IC50: 14 nM
0.000018
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-piperidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
Human immunodeficiency virus 1
-
IC50: 18 nM
0.00021
{1-[1-benzyl-3-(2-tert-butylcarbamoyl-pyrrolidin-1-yl)-2-methoxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
Human immunodeficiency virus 1
-
IC50: 210 nM
additional information
3-(4,8-dimethyl-3,7-nonadienyl)-(5R)-(2,5-dihydroxyphenyl)-2(5H)-furanone
0.000000008
(5S)-3-(3-aminophenyl)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)-(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000184
(5S)-3-(3-aminophenyl)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)-(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000006
(5S)-3-[3-(acetylamino)phenyl]-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)-propyl]-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000283
(5S)-3-[3-(acetylamino)phenyl]-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)-propyl]-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000026
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-((phenylmethyl)propyl)aminocarbonyl]-2-oxo-((3-oxazolidinyl)phenyl)carbamic acid methyl ester
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000187
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-((phenylmethyl)propyl)aminocarbonyl]-2-oxo-((3-oxazolidinyl)phenyl)carbamic acid methyl ester
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000015
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-nitrophenyl)-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.00000093
(5S)-N-[(1S,2R)-3-[(6-benzothiazolylsulfonyl)(2-methylpropyl)-amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(3-nitrophenyl)-2-oxooxazolidine-5-carboxamide
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000073
(6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.00013
(6R)-4-hydroxy-3-[[5-methyl-2-(propan-2-yl)phenyl]sulfanyl]-6-phenyl-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one
Human immunodeficiency virus 1
-
-
0.0000178
ATBI
Human immunodeficiency virus 1
-
natural ATBI
0.072
ATBI
Human immunodeficiency virus 1
-
recombinant ATBI
0.000000008
darunavir
Human immunodeficiency virus 1
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.000000025
darunavir
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000013
indinavir
Human immunodeficiency virus 1
-
IC50: 1.3 nM
0.00000302
indinavir
Human immunodeficiency virus 1
-
wild-type
0.000026
indinavir
Human immunodeficiency virus 1
-
mutant V82A
0.0015
indinavir
Human immunodeficiency virus 1
-
mutant V82F/I84V
0.00000009
lopinavir
Human immunodeficiency virus 1
wild type enzyme, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0000009
lopinavir
Human immunodeficiency virus 1
mutant enzyme L10I/L63P/A71V/G73S/I84V/L90M, in 0.1 M sodium acetate, 1 M sodium chloride, 1 mM EDTA, 1 mM dithiothreitol, 2% (v/v) DMSO, and 1 mg/ml bovine serum albumin, at pH 4.7 and 22°C
0.0106
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
Human immunodeficiency virus 1
-
L24I/M46I/F53L/L63P/V77I/V82A mutant protein
0.0172
methyl 4-[([6-[([4-[(tert-butoxycarbonyl)amino]thiophen-2-yl]carbonyl)amino]-1,3-benzoxazol-2-yl]carbonyl)amino]thiophene-2-carboxylate
Human immunodeficiency virus 1
-
wild-type protein
0.0000019
nelfinavir
Human immunodeficiency virus 1
-
-
0.0000019
nelfinavir
Human immunodeficiency virus 1
-
IC50: 1.9 nM
0.00000234
nelfinavir
Human immunodeficiency virus 1
-
wild-type
0.00000287
nelfinavir
Human immunodeficiency virus 1
-
mutant V82A
0.00024
nelfinavir
Human immunodeficiency virus 1
-
mutant V82F/I84V
0.00000125
ritonavir
Human immunodeficiency virus 1
-
wild-type
0.000003
ritonavir
Human immunodeficiency virus 1
-
IC50: 3 nM
0.00000626
ritonavir
Human immunodeficiency virus 1
-
mutant V82A
0.00025
ritonavir
Human immunodeficiency virus 1
-
mutant V82F/I84V
0.00000012
saquinavir
Human immunodeficiency virus 1
-
wild-type
0.00000028
saquinavir
Human immunodeficiency virus 1
-
mutant V82A
0.0000004
saquinavir
Human immunodeficiency virus 1
-
-
0.000012
saquinavir
Human immunodeficiency virus 1
-
mutant V82F/I84V
additional information
3-(4,8-dimethyl-3,7-nonadienyl)-(5R)-(2,5-dihydroxyphenyl)-2(5H)-furanone
Human immunodeficiency virus 1
-
IC50: 0.0075 mg/ml
additional information
ganomycin B
Human immunodeficiency virus 1
-
IC50: 0.001 mg/ml
additional information
additional information
Human immunodeficiency virus 1
-
the IC50 values for 3-[(8Z)-pentadec-8-en-1-yl]phenol, 3-[(10Z)-heptadec-10-en-1-yl]phenol, 3-tridecylphenol, and 3-pentadecylphenol are above 100 microM
-
additional information
pepstatin A
Human immunodeficiency virus 1
-
IC50: 0.001 mg/ml
additional information
schisanlactone A
Human immunodeficiency virus 1
-
IC50: 0.005 mg/ml
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A71T
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
A71V
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
A71V/V82T/I84V
-
site-directed mutagenesis, the mutant enzyme shows altered interactions with inhibitors compared to the wild-type enzyme
C67A/C95A
-
urea denaturation is unchanged from that of the wild-type enzyme. Kcat/Km ratio for KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate is similar to that of the wild-type enzyme
C95A
naturally occuring mutation
D29N
the mutation can largely reduce the binding capability of the two peptides ARVLAEAM and NLAFPQGE as compared to the wild type enzyme
D30N/L63P/N88D
-
mutations in drug-resistant clinical isolates
G48H
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 60% of that of the wild-type enzyme, with VSQNYPIVQ the KM-value of the mutant enzyme is 2.2fold higher than the Km-value of the wild-type enzyme
G86A
the mutant exhibits about 6000fold lower catalytic activity than the wild type enzyme
G86S
the mutant has undetectable catalytic activity
I47AV
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir and lopinavir
I47V
-
the mutation is associated with decreased susceptibility to protease inhibitors darunavir and tipranavir
I50V/A71V
-
mutations in drug-resistant clinical isolates
I50V/G73S/I84V
inhibitor amprenavir-resistant mutant
I50V/I84V
inhibitor amprenavir-resistant mutant
I54AMV
-
the mutation is associated with decreased susceptibility to protease inhibitor tipranavir
I54LM
-
the mutation is associated with decreased susceptibility to protease inhibitor atazanavir and darunavir
I54LMV
-
the mutation is associated with decreased susceptibility to protease inhibitor lopinavir
I54M
-
mutation in flap region. Activity comparable to wild-type
I54TV
-
the mutation is associated with decreased susceptibility to protease inhibitor saquinavir
I54V/I84V
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
I54V/V82A/L90M
-
confer strong resistence to ritonavir, but not to amprenavir
I84AV
-
the mutation is associated with decreased susceptibility to protease inhibitor atazanavir, saquinavir, indinavir, lopinavir and nelfinavir
K20M
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
K20T
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
K43T
-
the mutation is associated with decreased susceptibility to protease inhibitor tipranavir
K45I
-
mutant with significantly increased stability with half-maximal activity at 3.3 mM urea compared to 1.8 M urea for the wild-type enzyme. The kcat/Km ratio for the substrate KARVLAEAMS is 106% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
L10F
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, lopinavir and indinavir
L10FI
-
the mutation is associated with decreased susceptibility to protease inhibitor nelfinavir
L10I
the mutant enzyme is resistant against inhibition by darunavir and tipranavir
L10I/G48V/I54V/L63P/V82A
-
mutations in drug-resistant clinical isolates
L10I/G48V/I54V/V82A
multi-drug-resistant variant
L10I/K45R/I54V/L63P/A71V/V82T/L90M/I93L
-
dimerization study on mutant protease PRMDR derived from an HIV-1-infected patient on antiviral therapy. PRMDR contains eight drug-resistant related mutations that often arise in patients on antiviral therapy, none of these mutations reside in the N- or C-terminal regions that make up the dimerization interface. PRMDR is highly resistant to autoproteolysis. Incubation with dimerization inhibitors such as peptide P27 leads to dose- and time-dependent formation of protease monomers, while incubation with a active-site inhibitor does not change the elution profile of the protease. The monomeric protease induced by P27 has fluorescent characteristics consistent with unfolded protein
L10I/L63P/A71V/G73S/I84V/L90M
L10V
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
L24I
-
the mutation is associated with decreased susceptibility to protease inhibitors lopinavir and indinavir
L24I/M46I/F53L/L63P/V77I/V82A
-
associated with resistance to saquinavir, nelfinavir, ritonavir and TL3
L33I
naturally occuring mutation
L42I
-
site-directed mutagenesis, drug-resistant mutant
L63I
naturally occuring mutation
L63P/V82T/I84V
-
crystallized mutant protein
L76M
site-directed mutagenesis, mutant enzyme structure modelling
L89V
-
the mutation is associated with decreased susceptibility to protease inhibitor darunavir
M46I/I54V/I84V
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
M46I/I84V
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
M46IL
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, nelfinavir, indinavir and lopinavir
N25D
the mutation completely eliminates the binding capability of the two peptides ARVLAEAM and NLAFPQGE as compared to the wild type enzyme
N83D
-
the mutation is associated with decreased susceptibility to protease inhibitor tipranavir
N88DS
-
the mutation is associated with decreased susceptibility to protease inhibitor nelfinavir
PRS17
the highly drug-resistant mutant enzyme shows enhanced binding to substrate analogues RVLrFEANle and Ace-TINlerNleQR
PRV82A
the highly drug-resistant mutant enzyme shows enhanced binding to substrate analogues RVLrFEANle and Ace-TINlerNleQR
Q7
-
mutant enzyme has markedly enhanced stability over the wild-type enzyme
Q7K
naturally occuring mutation
Q7K/D29N/L33I/L63I/C67A/C95A
920fold less active than with Q7K/L33I/L63I/C67A/C95A, poor catalytic activity arises both from the destabilization of the dimer as well as changes in the active site environment
Q7K/D30N/L33I/L63I/C67A/L90M/C95A
-
mutant with restricted autoproteolysis, mutation D30N alters activity observed with peptide substrates
Q7K/L331I/L631I
-
mutant enzyme is highly resistant to autolysis, while retaining the physical properties, specificity, and susceptibility to inhibition of the wild-type enzyme
Q7K/L33I/K45I/L63I/C67A/N88D/C95A
-
mutant with restricted autoproteolysis, mutation N88D induces small structural changes, water molecules that mediate interactions between Asn88 and Thr74/Thr31/Asp30 in other complexes are missing in N88D
Q7K/L33I/L63I
-
autolysis-resistant mutant
Q7K/L33I/L63I/C67A/I84A/C95A
-
site-directed mutagenesis, mutations Q7K, L33I, and L63I minimizes enzyme autoproteolysis, mutations C67A and C95A prevent cysteine thiol oxidation, the I84A mutation confers drug-resistance
Q7K/L33I/L63I/C67A/R87K/C95A
4600fold less active than with Q7K/L33I/L63I/C67A/C95A
Q7K/L33I/L63I/C67A/V82A/C95A
-
site-directed mutagenesis, mutations Q7K, L33I, and L63I minimizes enzyme autoproteolysis, mutations C67A and C95A prevent cysteine thiol oxidation, the V823A mutation confers drug-resistance
Q7K/T26A/L33I/K45I/L63I/C67A/C95A
-
mutant with restricted autoproteolysis, mutation K45I reduces the mobility of the flap and the peptide inhibitor and contributes to an enhancement in structural stability and activity
Q7K/T26A/L33I/L63I/C67A/C95A
mutant enzyme with restricted autoproteolysis, mutation T26A destabilizes the dimer, exhibits a monomer fold and is prone to aggregation
Q7K/T26A/L33I/L63I/C67A/L90M/C95A
-
mutant with restricted autoproteolysis, mutation L90M decreases dimer stability and activity, alteration of the van der Waals interactions in the hydrophobic interior at the dimer interface near the catalytic aspartates
R10K
-
altered substrate specificity and catalytic rate compared to wild-type enzyme
R87K
loss of specific interactions involving the side chain of Arg87 destabilizes the mutant enzyme by perturbing the inner C-terminal region that is sandwiched between the two beta-strands formed by the N-terminal residues in the mature protease
R8K
-
significant difference in subsite selection compared to wild-type enzyme
R8Q
-
half maximal activity at 1.3 M urea compared to 1.8 M for the wild-type enzyme. The kcat/Km ratio for the substrate KARVLAEAMS is 15% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
T26A
-
mutation increases the stability of the monomer fold, mutant still exhibits a high Kd value of more than 0.5 mM
T74P
-
the mutation is associated with decreased susceptibility to protease inhibitors darunavir and tipranavir
V32T
-
mutant exhibits wild-type preference for large hydrophobic residues, especially Phe, in the P1' substrate position
V77I
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
V82A/L90M
-
confer strong resistence to ritonavir, but not to amprenavir
V82AFST
-
the mutation is associated with decreased susceptibility to protease inhibitor lopinavir
V82E
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 60% of that of the wild-type enzyme, with VSQNYPIVQ the KM-value of the mutant enzyme is 6.9fold higher than the Km-value of the wild-type enzyme
V82I
-
occuring in HIV-1 variant, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate (GRL-216) prevented from blocking dimerization, HIV-1 resistence to (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate (GRL-216)
V82LT
-
the mutation is associated with decreased susceptibility to protease inhibitor tipranavir
A28S
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 37% of that of the wild-type enzyme
A28S
-
the ratio of turnover number to Km-value for the substrate TATIMMQRGN is 1527fold lower than that for the wild-type enzyme. The ratio of turnover number to Km-value for the substrate RQGTVSFNFPQITL is 1488fold lower than that for the wild-type enzyme
C67A
-
kcat/Km ratio for KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate is similar to that of the wild-type enzyme
C67A
naturally occuring mutation
D25N
-
inactive
D25N
-
inactive mutant enzyme
D25N
inactive mutant enzyme
D25N
-
mutation increases the equilibrium dimer dissociation constant by a factor of more than 100fold relative to wild-type. In the absence of inhibitor, NMR studies reveal clear structural differences between wild-type and mutant enzyme in the relatively mobile P1 loop (residues 79-83) and flap regions, and differential scanning calorimetric analyses show that the mutation lowers the stabilities of both the monomer and dimer folds by 5 and 7.3°C, respectively. Complexation with acetyl-Thr-Ile-Nle-r-Nle-Gln-Arg-NH2 stabilizes both dimers, the effect on their Tm is smaller for the mutant enzyme (6.2°C) than for wild-type enzyme (8.7°C). The Tm of mutant enzyme/darunavir increases by only 3°C relative to free mutant enzyme, as compared with a 22°C increase for wild-type enzyme/darunavir. Mutation increases the ligand dissociation constant of mutant enzyme/darunavir by a factor of about 1000000 relative to wild-type enzyme/darunavir
D30N
-
similar to wild-type enzyme in stability towards urea denaturation. The kcat/Km ratio for the substrate KARVLAEAMS is 113% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
D30N
-
drug resistance with nelfinavir
D30N
-
mutant of HIV-1 protease subtype B, kcat/Km is 4.2fold lower than wild-type value
D30N
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.8fold lower than wild-type value
D30N
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
D30N
-
key residue mutation of drug resistance to inhibitors in clinical use
D30N
-
the mutation is associated with decreased susceptibility to protease inhibitor nelfinavir
D30N
inhibitor nelfinavir-resistant mutant
D30N/L90M
-
mutant of HIV-1 protease subtype B, kcat/Km is 9.2fold lower than wild-type value
D30N/L90M
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.9fold lower than wild-type value
D30N/N88D
-
mutant of HIV-1 protease subtype B, kcat/Km is 1.4fold lower than wild-type value
D30N/N88D
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.9fold lower than wild-type value
D30N/N88D
inhibitor nelfinavir-resistant mutant
F53L
-
site-directed mutagenesis in the flexible flap region, the mutation leads to 15% reduced catalytic efficiency, 20fold higher resistance against indinavir, and reduced dimer stability
F53L
-
the mutation is associated with decreased susceptibility to protease inhibitor saquinavir
G48V
-
the kcat/Km ratio for the substrate KARVLAEAMS is 55% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
G48V
-
drug resistance with saquinavir
G48V
-
less loss of activity with saquinavir as inhibitor, Ki is 13.5fold higher
G48V
-
mutant enzyme with 9.3% of the activity of the wild-type enzyme with VSQNYPIVQ as substrate
G48V
-
half maximal activity at 0.7 M urea compared to 1.8 M for the wild-type enzyme
G48V
-
mutation in flap region. About 30% of wild-type activity, poor inhibition by saquinavir and darunavir
G48V
-
the mutation is associated with decreased susceptibility to protease inhibitor saquinavir and nelfinavir
G48V/L90M
-
mutant enzyme with 1.7% of the activity of the wild-type enzyme with VSQNYPIVQ as substrate, less loss of activity with saquinavir as inhibitor, Ki is 419fold higher than that of the wild-type enzyme
G48V/L90M
-
mutant exhibits wild-type preference for large hydrophobic residues, especially Phe, in the P1' substrate position
G73S
-
site-directed mutagenesis, drug-resistant mutant
G73S
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
G73S
-
the mutation is associated with decreased susceptibility to protease inhibitors saquinavir, indinavir and nelfinavir
I50V
-
site-directed mutagenesis, drug-resistant mutant
I50V
-
analysis of kinetic parameters
I50V
-
mutation in flap region. About 10% of wild-type activity
I50V
-
key residue mutation of drug resistance
I50V
-
key residue mutation of drug resistance to inhibitors in clinical use
I50V
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, darunavir and lopinavir
I54V
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
I54V
-
mutation in flap region. About 40% of wild-type activity
I54V
-
the mutation is associated with decreased susceptibility to protease inhibitors indinavir and nelfinavir
I54V
the mutant enzyme is resistant against inhibition by darunavir and nelfinavir
I84V
-
mutant exhibits wild-type preference for large hydrophobic residues, especially Phe, in the P1' substrate position
I84V
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 19% of that of the wild-type enzyme, with VSQNYPIVQ the KM-value of the mutant enzyme is 7.2fold higher than the Km-value of the wild-type enzyme
I84V
-
site-directed mutagenesis of wild-type V6 enzyme, active-site mutation, the mutation leads to resistance against ritonavir, the mutant shows 10fold reduced catalytic effciency compared to the wild-type enzyme, inhibitor binding structure analysis
I84V
-
site-directed mutagenesis, kinetic and structural studies
I84V
-
analysis of kinetic parameters
I84V
-
HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
I84V
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
I84V
-
key residue mutation of drug resistance
I84V
-
occuring in HIV-1 variant, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate (GRL-216) prevented from blocking dimerization, HIV-1 resistence to (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[(7Z)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]-1-phenylbutan-2-yl]carbamate (GRL-216)
I84V
-
the mutation is associated with decreased susceptibility to protease inhibitors darunavir and tipranavir
K20R
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
K20R
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
L10I/L63P/A71V/G73S/I84V/L90M
-
mutations in drug-resistant clinical isolates
L10I/L63P/A71V/G73S/I84V/L90M
drug-resistant mutant
L33F
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
L33F
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, darunavir, tipranavir and lopinavir
L63P
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
L63P
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
L76V
-
virus with mutation L76V in protease or I437T/V in gag may be already resistant to darunavir
L76V
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, darunavir, indinavir and lopinavir
L90M
-
the kcat/Km ratio for the substrate KARVLAEAMS is 44% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A. Half maximal activity at 1.0 M urea compared to 1.8 M for the wild-type enzyme
L90M
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 6% of that of the wild-type enzyme, with VSQNYPIVQ the KM-value of the mutant enzyme is 76% of the Km-value of the wild-type enzyme
L90M
-
mutant enzyme with 7.9% of the activity of the wild-type enzyme with VSQNYPIVQ as substrate, less loss of activity with saquinavir as inhibitor, Ki is 3fold higher
L90M
-
drug resistance with indinavir and saquinavir
L90M
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
L90M
-
mutant of HIV-1 protease subtype B, kcat/Km is nearly identical to wild-type value
L90M
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.6fold lower than wild-type value
L90M
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
L90M
-
the mutation is associated with decreased susceptibility to protease inhibitors saquinavir, indinavir and nelfinavir
L90M
the mutant enzyme is resistant against inhibition by darunavir and tipranavir
M36I
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, inhibitor binding structure analysis
M36I
-
in untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B
M46I
-
drug resistance with indinavir
M46I
-
site-directed mutagenesis of wild-type V6 enzyme, non-active-site mutation, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
M46L
-
the kcat/Km ratio for the substrate KARVLAEAMS is 63% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
M46L
the mutant enzyme is resistant against inhibition by darunavir and saquinavir
N88D
-
drug resistance with nelfinavir
N88D
-
mutant with significantly increased stability with half-maximal activity at 3.1 mM urea compared to 1.8 M urea for the wild-type enzyme. The kcat/Km ratio for the substrate KARVLAEAMS is 39% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
N88D
-
mutant of HIV-1 protease subtype B, kcat/Km is 1.4fold higher than wild-type value
N88D
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.7fold lower than wild-type value
N88D
-
non-active site region, nelfinavir resistent
N88D/L90M
-
mutant of HIV-1 protease subtype B, kcat/Km is 1.6fold lower than wild-type value
N88D/L90M
-
mutant of HIV-1 protease subtype C, kcat/Km is 1.1fold higher than wild-type value
N88S
-
in treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1
N88S
-
non-active site region, nelfinavir resistent
N88S
-
the mutation is associated with decreased susceptibility to protease inhibitor indinavir
Q7K/L33I/L63I/C67A/C95A
-
the kinetic parameters are nearly identical to those of the native enzyme. Half maximal activity at 1.9 M urea compared to 1.8 M for the wild-type enzyme
Q7K/L33I/L63I/C67A/C95A
-
mutant enzyme with restricted autoproteolysis, self-degradation
Q7K/L33I/L63I/C67A/C95A
mutant enzyme with restricted autoproteolysis, self-degradation
Q7K/L33I/L63I/C67A/C95A
-
site-directed mutagenesis, mutations lead to stabilization of the enzyme for kinetic and structural studies
Q7K/L33I/L63I/C67A/C95A
-
mutations prevent autoproteolysis and cysteine thiol oxidation
Q7K/L33I/L63I/C67A/C95A
-
reduced autoproteolysis and aggregation, mutations do not alter the inhibitor binding site and the mutant protein has kinetic parameters and stability indistinguishable from those of the unsubstituted enzyme
Q7K/L33I/L63I/C67A/C95A
the mutations diminish the autoproteolysis and prevent cysteine-thiol oxidation of the HIV-1 protease
V32I
-
significant difference in subsite selection compared to wild-type enzyme
V32I
-
site-directed mutagenesis of wild-type V6 enzyme, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
V32I
-
under drug pressure commonly selected mutant
V32I
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir, darunavir, lopinavir and indinavir
V32I
site-directed mutagenesis, mutant enzyme structure modelling
V32I/I47V/V82I
the mutations mimic the inhibitor binding site of HIV-2 protease and shows increased kcat values compared to the wild type enzyme
V32I/I47V/V82I
the three mutations do not significantly alter the interaction between inhibitor amprenavir and the enzyme
V82A
-
drug resistance with ritonavir, saquinavir and indinavir
V82A
-
with VSQNYPIVQ the turnover-number of the mutant enzyme is 40% of that of the wild-type enzyme, with VSQNYPIVQ the KM-value of the mutant enzyme is 2.8fold higher than the Km-value of the wild-type enzyme
V82A
-
site-directed mutagenesis of wild-type V6 enzyme, the mutation leads to resistance against ritonavir, inhibitor binding structure analysis
V82A
-
site-directed mutagenesis, kinetic and structural studies
V82A
-
mutation isolated in South African subtype C protease, no significant impact on proteolytic abilities. Decrease in binding abilities for inhibitors saquinavir, ritonavir, indinavir, and nelfinavir
V82A
-
key residue mutation of drug resistance
V82A
-
under drug pressure commonly selected mutant
V82F
-
reduced dimer stability relative to the autolysis resistant mutant Q7K/L33I/L631I at pH 7.0
V82F
-
drug resistance with ritonavir and indinavir
V82F
-
mutation at the active site resulting in a conformational change of 79's loop region and displacement of inhibitor lopinavir from its proper binding site, changes lead to rotation of the side-chains of residues D25 and I50'. The conformation of the binding cavity is deformed asymmetrically and some interactions between protease and lopinavir are destroyed
V82F
-
the mutation is associated with decreased susceptibility to protease inhibitors atazanavir and nelfinavir
V82F/I84V
-
reduced dimer stability relative to the autolysis resistant mutant Q7K/L33I/L631I at pH 7.0
V82F/I84V
-
mutation isolated in South African subtype C protease, no significant impact on proteolytic abilities. Decrease in binding abilities for inhibitors saquinavir, ritonavir, indinavir, and nelfinavir to levels significantly lower than that required for effective inhibition
V82F/I84V
-
the mutation leads to resistance to standard antiretroviral drugs
V82L
-
HIV-1 pNL4-3 clones with a single V82L or I84V mutation are phenotypically resistant to A-790742 and ritonavir
V82L
-
mutation is present with increased frequency in isolates from children compared to isolates from adults infected with both subtypes B and F1
V82S
-
drug resistance with ritonavir
V82S
-
similar to wild-type enzyme in stability towards urea denaturation. The kcat/Km ratio for the substrate KARVLAEAMS is 24% of that for the autoproteolysis resistant variant Q7K/L33I/L63I/C67A/C95A
V82T
-
drug resistance with ritonavir and indinavir
V82T
the mutant enzyme is resistant against inhibition by darunavir
V82T/I84V
-
mutant exhibits wild-type preference for large hydrophobic residues, especially Phe, in the P1' substrate position
V82T/I84V
-
reduced dimer stability relative to the autolysis resistant mutant Q7K/L33I/L631I at pH 7.0
V82T/I84V
multi-drug-resistant variant
additional information
truncated enzyme PR-(5-95): displays severe aggregation. The catalytic activity is similar to that of wild-type enzyme. The lower kcat/Km observed for Pr-(5-99) using five different substrates suggests that only a small fraction of the protein contrubutes to the observed activity. PR-(1-95) does not exhibit detectable cleavage of any of the substrates tested
additional information
-
truncated enzyme PR-(5-95): displays severe aggregation. The catalytic activity is similar to that of wild-type enzyme. The lower kcat/Km observed for Pr-(5-99) using five different substrates suggests that only a small fraction of the protein contrubutes to the observed activity. PR-(1-95) does not exhibit detectable cleavage of any of the substrates tested
additional information
-
three chimeric HIV proteases are constructed by substituting amino acid residues in the HIV type 1 protease sequence with the corresponding residues from HIV type 2 in the region spanning residues 31-37 and in the active site cavity. Crystallographic analysis reveals that substitution of residues 31-37 (30's loop) with those of HIV-2 protease renders the chimera similar to HIV-2 protease in both the inhibitor binding affinity and mode of binding (two inhibitor molecules per protease dimer). However, further substitution of active site residues 47 and 82 has a compensatory effect which restores the HIV-1-like inhibitor binding mode
additional information
enzyme PR mutant with mutations Q7K/L33I/L63I/C67A/C95A and the additional mutation D25N/C2-S-S-C97, in which the terminal beta-strand is linked through a disulfide bridge, is less prone to aggregation, even at a relatively high protein concentration of about 1 mM
additional information
-
enzyme PR mutant with mutations Q7K/L33I/L63I/C67A/C95A and the additional mutation D25N/C2-S-S-C97, in which the terminal beta-strand is linked through a disulfide bridge, is less prone to aggregation, even at a relatively high protein concentration of about 1 mM
additional information
-
observed enzyme mutations of HIV-1 protease, either naturally occuring or induced by drug therapy, are found in regions that are not structurally designed to withstand unfolding. These mutations are especially likely to occur in the flap region, a part of the protein which is not essentiall for stability of the protein, but does contribute significantly to the stability of the protease-drug complexes
additional information
-
proteases with modified aspartic acid analogues at Asp25 or Asp125. Introduction of the beta-methyl moiety alters the protease function to varying extents depending upon ist orientation. While a beta-methyl group in the erythro orientation is the least deleterious to the specific activity of the protease, a beta-methyl group in the threo orientation, present in the modified proteins containing threo-beta-methylaspartate and beta,beta-dimethylaspartate, results in specific activities between 0 and 45% of that of the wild-type depending upon the substrate and the substituted active site position
additional information
-
constuction of a hybrid comprising HIV-1 and HIV-2 retropepsin, overview
additional information
-
protease lacking the terminal residues 1-4 and 96-99 exhibits a stable monomer fold
additional information
-
comparison of the differences between subtypes B and F1 in the acquisition of major and minor protease inhibitor-associated resistance mutations and other polymorphisms in the protease gene. In untreated patients, mutations L10V, K20R, and M36I are more frequent in subtype F1, while L63P, A71T, and V77I are more prevalent in subtype B. In treated patients, K20M, D30N, G73S, I84V, and L90M, are more prevalent in subtype B, and K20T and N88S are more prevalent in subtype F1. A higher proportion of subtype F1 than of subtype B strains containing other polymorphisms is observed. V82L mutation is present with increased frequency in isolates from children compared to isolates from adults infected with both subtypes
additional information
-
construction of chimeric viruses using patient-derived gag-protease sequences amplified from plasma HIV RNA and inserted into an NL4-3 backbone. The chimeric viruses generated from elite controllers display lower replication capacity than viruses from chronic progressors. Human leukocyte antigen system allele HLA-B*57 is associated with lower replication capacity than other alleles in both elite controllers and chronic progressor groups. Chimeric viruses from allele B*57 elite controllers demonstrate lower replication capacity than viruses from allele B*57 chronic progressors. Cytotoxic T-lymphocyte selection pressure on gag-protease alters virus replication capacity, and HIV-specific cytotoxic T-lymphocytes inducing escape mutations with fitness costs in this region may be important for strict viremia control in elite controllers of HIV
additional information
-
isolation of subtype G viruses from patients with diverse amino acid combinations at codons 71, 74, 89 and 90. In isolates displaying 89I/V in combination with A71 or T74, a reversal to subtype G wild-type 89M is observed after growth in the absence of protease inhibitor. The presence of 71T in one isolate and 74S in another allows the persistence of 89I. Mutation 90M confers intermediate but significant degrees of drug resistance to ritonavir and nelfinavir in subtype G viruses. The combination of 71T or 74S, 89I and 90M results in higher levels of resistance to those protease inhibitors. 71T or 74S may stabilize 89I in the protease of subtype G
additional information
modelling of PR1 mutant structures containing V32I and L76M substitutions reveals a cooperative mechanism leading to structural deformation of flap-residue 45 that can modify PR2 flexibility
additional information
-
modelling of PR1 mutant structures containing V32I and L76M substitutions reveals a cooperative mechanism leading to structural deformation of flap-residue 45 that can modify PR2 flexibility
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