3.4.23.16: HIV-1 retropepsin
This is an abbreviated version!
For detailed information about HIV-1 retropepsin, go to the full flat file.
Word Map on EC 3.4.23.16
-
3.4.23.16
-
antiretroviral
-
ritonavir
-
transcriptase
-
saquinavir
-
indinavir
-
nelfinavir
-
hiv-infected
-
lopinavir
-
polyproteins
-
flap
-
darunavir
-
amprenavir
-
drug-resistant
-
anti-hiv
-
atazanavir
-
virological
-
haart
-
gag-pol
-
peptidomimetic
-
virion
-
p-glycoprotein
-
lipodystrophy
-
non-nucleoside
-
integrase
-
cross-resistance
-
isostere
-
nonpeptidic
-
zidovudine
-
nevirapine
-
virus-1
-
tipranavir
-
cyp3a4
-
nnrti
-
drug-drug
-
treatment-experienced
-
lamivudine
-
didanosine
-
ritonavir-boosted
-
autoprocessing
-
efavirenz
-
protease-inhibitor
-
stavudine
-
treatment-naive
-
analysis
-
raltegravir
-
zalcitabine
-
plasmepsins
-
antiretroviral-naive
-
pi-based
-
pharmacology
-
drug development
-
medicine
-
hiv-rna
-
lipoatrophy
- 3.4.23.16
-
antiretroviral
- ritonavir
- transcriptase
- saquinavir
- indinavir
- nelfinavir
-
hiv-infected
- lopinavir
- polyproteins
- flap
- darunavir
- amprenavir
-
drug-resistant
-
anti-hiv
- atazanavir
-
virological
-
haart
- gag-pol
-
peptidomimetic
- virion
- p-glycoprotein
- lipodystrophy
-
non-nucleoside
-
integrase
-
cross-resistance
- isostere
-
nonpeptidic
- zidovudine
- nevirapine
- virus-1
- tipranavir
- cyp3a4
-
nnrti
-
drug-drug
-
treatment-experienced
- lamivudine
- didanosine
-
ritonavir-boosted
-
autoprocessing
- efavirenz
-
protease-inhibitor
- stavudine
-
treatment-naive
- analysis
- raltegravir
- zalcitabine
-
plasmepsins
-
antiretroviral-naive
-
pi-based
- pharmacology
- drug development
- medicine
-
hiv-rna
-
lipoatrophy
Reaction
specific for a P1 residue that is hydrophobic, and P1' variable, but often Pro =
Synonyms
CRF01_AE protease, Gag protease, HIV aspartyl protease, HIV PR, HIV protease, HIV-1 aspartyl protease, HIV-1 PR, HIV-1 protease, HIV-1 proteinase, HIV-1PR, HIV-2 protease, HIVPR, human immunodeficiency virus 1 protease, human immunodeficiency virus 1 retropepsin, human immunodeficiency virus protease, human immunodeficiency virus type 1 protease, human immunodeficiency virus type I protease, More, PR, PR1, PR2, retropepsin, retroproteinase
ECTree
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Inhibitors
Inhibitors on EC 3.4.23.16 - HIV-1 retropepsin
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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
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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
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(3R)-N-[(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino]-1-benzyl-2-hydroxypropyl]-3-hydroxypentanamide
-
-
(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
-
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
-
-
(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
-
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
-
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
-
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
-
-
(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-(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-[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-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-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-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-diheptyl-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-[(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-methyl-1-(phenylsulfanyl)butyl]-6-phenyl-2H-pyran-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-[(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-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-RKIL
-
product inhibition with Ac-RKILFLDG-NH2 as substrate
Ac-SQNY
-
product inhibition with Ac-RASQNYPVV or Ac-SQNYFLDG-NH2 as substrate
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-Leu-Ala-Phe
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
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
-
-
Glu-Arg-Leu-Ala
-
with KARV-Nle-Phe(NO2)-EA-Nle-NH2 as substrate
GRL-98065
-
I50V, V82A and I84V mutant proteins show high levels of resistence
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,S,S)[OH]-Phe-2,6-dimethylphenoxyacetyl
-
IC50: 3 nM
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
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
-
-
U-71038
-
i.e. Boc-Pro-Phe-Nalpha-MeHis-Leu-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
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the p2-NC cleavage site
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
-
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
-
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
atazanavir
-
-
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
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
-
-
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
-
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
nelfinavir
-
-
-
substrate analogue, competitive inhibition of the HIV-1 protease, mimicks the CA/p2 cleavage site
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
-
study on impact of active site region aspartyl residues 25 and 29 on the binding by differential scanning calorimetry
saquinavir
-
-
-
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
-
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
-