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(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
(2Z)-3-[4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinolin-6-yl]prop-2-enoic acid
-
70% effect at 0.1 mM
(3S)-[N3-(acetyl-L-leucyl-L-alanyl)-N1-[3'-(N,N-dimethylamino)-3'-oxopropyl]-N1-(methylsulfonyl)]-1,3-diaminobutan-2-one
-
weak competitive
(3S)-[N3-(acetyl-L-leucyl-L-alanyl)-N1-[3'-(N,N-dimethylamino)-3'-oxopropyl]-N1-(p-methylphenylsulfonyl)]-1,3-diaminobutan-2-one
-
weak competitive
(3S)-[N3-(benzyloxycarbonyl)-N1-[3'-(N,N-dimethylamino)-3'-oxoprolyl]-N1-(methylsulfonyl)]-1,3-diaminobutan-2-one
-
weak competitive
(3S)-[N3-(benzyloxycarbonyl)-N1-[3'-(N,N-dimethylamino)-3'-oxopropyl]-N1-(p-methylphenylsulfonyl)]-1,3-diaminobutan-2-one
-
weak competitive, IC50: 0.075 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[(4-phenylpiperazin-1-yl)carbonyl]-1,3-dioxolane-4-carboxamide
-
82.47% inhibition at 0.1 mM; complete inhibition at 0.1 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(3-methylbenzyl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide
-
78.74% inhibition at 0.1 mM; 84.20% inhibition at 0.1 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-2,2-dimethyl-5-[[4-(pyridin-2-yl)piperazin-1-yl]carbonyl]-1,3-dioxolane-4-carboxamide
-
85.35% inhibition at 0.1 mM; 97.80% inhibition at 0.1 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[(4-benzylpiperazin-1-yl)carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
-
67.80% inhibition at 0.1 mM; 85.51% inhibition at 0.1 mM, molecular docking study using the HRV 3C protease structure, PDB ID 1CQQ
(4R,5R)-N-(1,3-benzothiazol-2-yl)-5-[[4-(2-cyanophenyl)piperazin-1-yl]carbonyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
-
56.36% inhibition at 0.1 mM; complete inhibition at 0.1 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(3-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
-
99.91% inhibition at 0.1 mM
(4R,5R)-N-(1,3-benzothiazol-2-yl)-N'-[2-[(4-methoxyphenyl)amino]ethyl]-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxamide
-
85.22% inhibition at 0.1 mM
(4R,5R)-N4-(2-((3-methoxyphenyl)amino)ethyl)-2,2-dimethyl-N5-(naphthalen-2-yl)-1,3-dioxolane-4,5-dicarboxamide
-
80.56% inhibition at 0.1 mM
(4S)-4-(acetylamino)-N,N-dimethyl-5-oxopentanamide
-
hepatitis A virus
(5-bromopyridin-3-yl)methyl furan-2-carboxylate
-
67% inhibition at 10 microM inhibitor concentration
(E)-2-({2-acetyl-1-[3-(dimethylamino)-3-oxopropyl]hydrazinyl}carbonyl)-N-(2-phenylethyl)diazenecarboxamide
-
potent, irreversible inhibitors with IC50 values in the low micromolar range, probably act by adding the active site thiol to the azo moiety in a Michael fashion to give a covalent complex
(E)-5-chloropyridin-3-yl 3-(furan-2-yl)acrylate
-
83% inhibition at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, 43% inhibition at 0.25 microM inhibitor concentration
1,3-diphenyl-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
1-(2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)acetyl)-4-ethylthiosemicarbazide
1-(2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)acetyl)-4-methylthiosemicarbazide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-(benzyloxy)-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-3-(1H-imidazol-3-ium-2-yl)-L-alaninamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-5-ammonio-L-norvalinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-N5-[amino(iminio)methyl]-L-ornithinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-N6-[amino(iminio)methyl]-L-lysinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]glycinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-[methoxy(methyl)amino]-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
1-acetyl-L-prolyl-L-alanyl-N1-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-L-glutamamide
-
-
1-acetyl-L-prolyl-L-alanyl-N6-acetyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-L-lysinamide
-
-
1-acetyl-L-prolyl-N-[(2S)-1-[[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]amino]-4-ammonio-1-oxobutan-2-yl]-L-alaninamide
-
-
1-acetyl-L-prolyl-N-[(2S)-1-[[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]amino]-4-[[amino(iminio)methyl]amino]-1-oxobutan-2-yl]-L-alaninamide
-
-
1-benzoylprolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
1-benzylprolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
1-[(4-methylphenyl)sulfonyl]prolyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
13C-labeled beta-lactone
-
-
-
2,2'-dipyridyl disulfide
-
0.4 mM, complete inhibition
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-(4-bromophenyl)ethylidene)acetohydrazide
-
enzyme binding and protein interactions analysis
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-(4-chlorophenyl)ethylidene)acetohydrazide
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-phenylethylidene)acetohydrazide
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(2-oxoindolin-3-ylidene)acetohydrazide
-
-
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(5-bromo-2-oxoindolin-3-ylidene)acetohydrazide
-
-
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(5-chloro-2-oxoindolin-3-ylidene)acetohydrazide
-
-
2-(pyridin-3-yl)quinolin-4(1H)-one
-
35% effect at 0.1 mM
2-aminopyridin-3-yl furan-2-carboxylate
-
24% inhibition at 0.001 mM
2-carbamoylpyridin-3-yl furan-2-carboxylate
-
14% inhibition at 0.001 mM
2-chloropyridin-3-yl thiophene-2-carboxylate
-
11% inhibition at 10 microM inhibitor concentration
2-methylpyridin-3-yl thiophene-2-carboxylate
-
below 10% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 1 microM inhibitor concentration
2-oxo-1,2-dihydroquinolin-4-yl furan-2-carboxylate
-
98% inhibition at 0.001 mM
2-pyridin-3-yl-1-thiophen-2-ylethanone
-
10% inhibition at 10 microM inhibitor concentration
2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetohydrazide
-
-
3-(benzylamino)-5-[1-N-hydroxyethanimidoyl]benzamide
-
-
3-(bromoacetyl)-5-(naphth-2-ylmethyl)benzamide
-
12% inhibition at inhibitor concentration of 100 nM, 39% inhibition at inhibitor concentration of 1 microM, 83% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-(bromoacetyl)benzamide
-
4% inhibition at inhibitor concentration of 100 nM, 23% inhibition at inhibitor concentration of 1 microM, 85% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-(chloroacetyl)-5-(naphth-2-ylmethyl)benzamide
-
25% inhibition at inhibitor concentration of 100 nM, 61% inhibition at inhibitor concentration of 1 microM, 81% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-(chloroacetyl)benzamide
-
-
3-(dibromoacetyl)-5-(naphth-2-ylmethyl)benzamide
-
-
3-(dibromoacetyl)benzamide
-
-
3-(dichloroacetyl)benzamide
-
-
3-(difluoroacetyl)-5-[(phenylcarbonyl)amino]benzamide
-
-
3-(difluoroacetyl)benzamide
-
-
3-(trifluoroacetyl)benzamide
-
no inhibition of 3CP
3-(trifluoroacetyl)benzonitrile
-
-
3-acetyl-5-(5,8-dihydronaphthalen-2-ylmethyl)benzamide
-
-
3-acetyl-5-(naphth-1-ylcarbamoyl)benzoic acid
-
-
3-acetyl-5-(phenylcarbamoyl)benzoic acid
-
-
3-acetyl-5-benzylbenzamide
-
-
3-amino-6-([[(2S)-1-([(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl]amino)-1-oxo-3-phenylpropan-2-yl]amino]oxy)-6-methyl-4-oxoheptanoic acid
-
-
3-benzyl-5-(bromoacetyl)benzamide
-
0% inhibition at inhibitor concentration of 100 nM, 30% inhibition at inhibitor concentration of 1 microM, 68% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-benzyl-5-(chloroacetyl)benzamide
-
14% inhibition at inhibitor concentration of 100 nM, 79% inhibition at inhibitor concentration of 1 microM, 91% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-benzyl-5-(dibromoacetyl)benzamide
-
14% inhibition at inhibitor concentration of 100 nM, 27% inhibition at inhibitor concentration of 1 microM, 75% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
3-benzyl-5-(difluoroacetyl)benzamide
-
-
3-carbamoylphenyl furan-2-carboxylate
-
5% inhibition at 0.001 mM
3-chloro-5-(furan-2-ylmethoxy)pyridine
-
below 10% inhibition at 10 microM inhibitor concentration
3-chlorophenyl furan-2-carboxylate
-
11% inhibition at 10 microM inhibitor concentration
3-phenyl-1-(3,4-dichlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
3-phenyl-1-(3-chlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
3-phenyl-1-(3-nitrophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
3-phenyl-1-(4-chlorophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
3-phenyl-1-(4-cyanophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
3-phenyl-1-(4-fluorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
3-phenyl-1-(4-methoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
3-phenyl-1-(4-trifluoromethoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
3-[N1-(acetyl-L-leucyl-L-alanyl-L-alanyl)-N2-(o-nitrophenyl-sulfenyl)hydrazino]-N,N-(dimethyl)propanamide
-
IC50: 0.1 mM, time-dependent inactivation of the enzyme due to disulfide bond formation with the active site cysteine thiol
3-[N1-(bromoacetyl)-N2-(acetyl-L-leucyl-L-alanyl-L-alanyl)hydrazino]-N,N-(dimethyl)propanamide
-
time-dependent irreversible inactivator
3-[N1-(chloroacetyl)-N2-(acetyl-L-leucyl-L-alanyl-L-alanyl)hydrazino]1-N,N-(dimethyl)propanamide
-
time-dependent irreversible inactivator
4-(bromoacetyl)isoindolin-1-one
-
-
4-acetylisoindolin-1-one
-
-
4-amino-7-([[(2S)-1-([(2S,3E)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl]amino)-1-oxo-3-phenylpropan-2-yl]amino]oxy)-7-methyl-5-oxooctanoic acid
-
-
4-bromoisoindolin-1-one
-
-
4-chloromercuribenzenesulfonate
-
strong inhibition at 0.05 mM
4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinoline-6-carbaldehyde
-
95% effect at 0.1 mM
4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinoline-6-carbonitrile
-
50% effect at 0.1 mM
4-phenyl-7-[(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)methoxy]-2H-chromen-2-one
-
-
4S-(3-benzo[1,3]dioxol-5-yl-acryloylamino)-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(2H-chromene-3-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(2methyl-5-phenylfuran-3-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(6-bromo-2H-chromene-3-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(6-chloro-2H-chromene-3-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(6-methyl-naphthalene-2-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[(7-bromonaphthalene-2-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)-pent-2-enoic acid ethyl ester
-
-
4S-[(naphthalene-2-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid
-
-
4S-[3-(2,5-dibromophenyl)acryloylamino]-5-(2-oxopyrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[3-(3-bromo-4-fluorophenyl)acryloylamino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[3-(3-bromo-4-methyl-phenyl)-acryloylamino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[3-(3-bromophenyl)acryloylamino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid ethyl ester
-
-
4S-[3-(6'-bromo-benzo[1,3]dioxol-5-yl)acryloylamino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic acid
-
-
5-(bromoacetyl)-N-2-naphthylisophthalamide
-
5% inhibition at inhibitor concentration of 100 nM, 19% inhibition at inhibitor concentration of 1 microM, 80% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
5-(bromoacetyl)-N-phenylisophthalamide
-
8% inhibition at inhibitor concentration of 100 nM, 27% inhibition at inhibitor concentration of 1 microM, 86% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
5-(dibromoacetyl)-N-2-naphthylisophthalamide
-
-
5-(dibromoacetyl)-N-phenylisophthalamide
-
-
5-acetyl-N-(naphthalen-1-yl)benzene-1,3-dicarboxamide
-
-
5-acetyl-N-phenylbenzene-1,3-dicarboxamide
-
-
5-bromopyridin-3-yl (2E)-3-phenylprop-2-enoate
-
63% inhibition at 0.001 mM
5-bromopyridin-3-yl 3-phenylpropanoate
-
34% inhibition at 0.001 mM
5-bromopyridin-3-yl furan-2-carboxylate
-
most potent inhibitor, 90% inhibition at 0.001 mM
5-bromopyridin-3-yl furan-3-carboxylate
-
inhibition not detected at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, 87% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1,3-thiazole-4-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 85% inhibition at 1 microM inhibitor concentration, 37% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1-benzofuran-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1-benzothiophene-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 47% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 1-naphthoate
-
above 90% inhibition at 10 microM inhibitor concentration, 30% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 1H-benzo[d]imidazole-5-carboxylate
-
82% inhibition at 10 microM inhibitor concentration, 75% inhibition at 1 microM inhibitor concentration, 32% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1H-benzo[d][1,2,3]triazole-5-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 1H-imidazole-4-carboxylate
-
33% inhibition at 10 microM inhibitor concentration, 47% inhibition at 1 microM inhibitor concentration, 34% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1H-indole-2-carboxylate
-
80% inhibition at 10 microM inhibitor concentration, 58% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 1H-indole-3-carboxylate
-
13% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 1H-indole-5-carboxylate
-
87% inhibition at 10 microM inhibitor concentration, 60% inhibition at 1 microM inhibitor concentration, 22% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 1H-pyrazole-3-carboxylate
-
82% inhibition at 0.001 mM
5-chloropyridin-3-yl 1H-pyrazole-4-carboxylate
-
56% inhibition at 10 microM inhibitor concentration, 21% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 2,6-dichloro-5-fluoronicotinate
-
44% inhibition at 10 microM inhibitor concentration, 19% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 2-(diphenylmethyl)-4-ethoxy-1,3-oxazole-5-carboxylate
-
5% inhibition at 0.001 mM
5-chloropyridin-3-yl 2-benzyl-4-ethoxy-1,3-oxazole-5-carboxylate
-
5% inhibition at 0.001 mM
5-chloropyridin-3-yl 2-chlorobenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 67% inhibition at 1 microM inhibitor concentration, 23% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 2-methoxybenzoate
-
85% inhibition at 10 microM inhibitor concentration, 57% inhibition at 1 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 2-methylbenzoate
-
82% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 2-naphthoate
-
23% inhibition at 10 microM inhibitor concentration, 35% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 2-nitrobenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 24% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
-
75% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 3,4-dimethoxybenzoate
-
59% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 3-acetoxybenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 27% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 3-chlorobenzoate
-
29% inhibition at 10 microM inhibitor concentration, 50% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 3-methylbenzoate
-
63% inhibition at 10 microM inhibitor concentration, 32% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 3-methylthiophene-2-carboxylate
-
below 10% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 3-[4-(trifluoromethyl)phenyl]-3H-pyrrole-5-carboxylate
-
40% inhibition at 0.001 mM
5-chloropyridin-3-yl 4-(diethylamino)benzoate
-
64% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 4-(dimethylamino)benzoate
-
above 90% inhibition at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, 20% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 4-(methylamino)benzoate
-
82% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 4-aminobenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 26% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 4-chloro-2-hydroxybenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 59% inhibition at 1 microM inhibitor concentration, 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 4-ethoxy-2-(naphthalen-2-yl)-1,3-oxazole-5-carboxylate
-
34% inhibition at 0.001 mM
5-chloropyridin-3-yl 4-ethoxy-2-[(E)-2-phenylethenyl]-1,3-oxazole-5-carboxylate
-
87% inhibition at 0.001 mM
5-chloropyridin-3-yl 4-fluorobenzoate
-
above 90% inhibition at 10 microM inhibitor concentration, 45% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylate
-
below 10% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 4-methoxybenzoate
-
85% inhibition at 10 microM inhibitor concentration; above 90% inhibition at 10 microM inhibitor concentration, 50% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 4-methylbenzoate
-
77% inhibition at 10 microM inhibitor concentration, 70% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 4-sulfamoylbenzoate
-
64% inhibition at 10 microM inhibitor concentration, 57% inhibition at 1 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-(2-(trifluoromethyl)phenyl)furan-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-(2-chloro-5-(trifluoromethyl)phenyl)furan-2-carboxylate
-
76% inhibition at 10 microM inhibitor concentration, 36% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl 5-(2-nitrophenyl)furan-2-carboxylate
-
37% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 5-(3-nitrophenyl)furan-2-carboxylate
-
Inhibition not detected at 10 microM, 1 microM and 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-(4-chloro-2-nitrophenyl)furan-2-carboxylate
-
40% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate
5-chloropyridin-3-yl 5-(4-methylphenyl)furan-2-carboxylate
-
79% inhibition at 0.001 mM
5-chloropyridin-3-yl 5-(4-nitrophenyl)furan-2-carboxylate
-
60% inhibition at 0.001 mM
5-chloropyridin-3-yl 5-bromofuran-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 54% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-methyl-3-phenylisoxazole-4-carboxylate
-
below 10% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-methylthiophene-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 24% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-nitro-1H-pyrazole-3-carboxylate
-
54% inhibition at 10 microM inhibitor concentration, 69% inhibition at 1 microM inhibitor concentration, 53% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-phenylfuran-2-carboxylate
-
80% inhibition at 0.001 mM
5-chloropyridin-3-yl benzoate
5-chloropyridin-3-yl benzo[d]thiazole-6-carboxylate
-
74% inhibition at 10 microM inhibitor concentration, 54% inhibition at 1 microM inhibitor concentration, 27% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl benzo[d][1,3]dioxole-5-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 11% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl biphenyl-4-carboxylate
-
39% inhibition at 10 microM inhibitor concentration, 23% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl cinnamate
-
above 90% inhibition at 10 microM inhibitor concentration, 53% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl cyclohexanecarboxylate
-
81% inhibition at 10 microM inhibitor concentration, 32% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl furan-2-carboxylate
5-chloropyridin-3-yl furan-3-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl isonicotinate
-
37% inhibition at 10 microM inhibitor concentration, 34% inhibition at 1 microM inhibitor concentration
5-chloropyridin-3-yl naphthalene-1-carboxylate
-
75% inhibition at 0.001 mM
5-chloropyridin-3-yl naphthalene-2-carboxylate
-
80% inhibition at 0.001 mM
5-chloropyridin-3-yl pyrazine-2-carboxylate
-
22% inhibition at 10 microM inhibitor concentration
5-chloropyridin-3-yl thiophene-2-carboxylate
5-methylpyridin-2-yl thiophene-2-carboxylate
-
12% inhibition at 10 microM inhibitor concentration
6-(bromoacetyl)isoindolyn-1-one
-
0% inhibition at inhibitor concentration of 100 nM, 25% inhibition at inhibitor concentration of 1 microM, 70% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
6-acetyl-2-(pyridin-3-yl)quinolin-4(1H)-one
-
25% effect at 0.1 mM
6-acetylisoindolin1-one
-
-
6-bromoisoindolin-1-one
-
-
6-chloropyridin-2-yl thiophene-2-carboxylate
-
16% inhibition at 10 microM inhibitor concentration
6-chloropyridin-3-yl 1H-pyrrole-2-carboxylate
-
92% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 1 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
6-chloropyridin-3-yl thiophene-2-carboxylate
-
25% inhibition at 10 microM inhibitor concentration
6-methyl-2-nitropyridin-3-yl thiophene-2-carboxylate
-
14% inhibition at 10 microM inhibitor concentration
6-methylpyridin-2-yl thiophene-2-carboxylate
-
91% inhibition at 10 microM inhibitor concentration, below 10% inhibition at 1 microM inhibitor concentration
6-methylpyridin-3-yl thiophene-2-carboxylate
-
23% inhibition at 10 microM inhibitor concentration
7-((4-ethyl-5-thioxo-1,2,4-triazol-3-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((4-methyl-5-thioxo-1,2,4-triazol-3-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(2-(diethylamino)ethylthio)-1,3,4-oxadiazol-2-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(2-(dimethylamino)ethylthio)-1,3,4-oxadiazol-2-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(2-morpholinoethylthio)-1,3,4-oxadiazol-2-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(2-morpholinoethylthio)-4-ethyl-4H-1,2,4-triazol-3-yl) methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(ethylamino)-1,3,4-thiadiazol-2-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-((5-(methylamino)-1,3,4-thiadiazol-2-yl)methoxy)-4-phenyl-2H-chromen-2-one
-
-
7-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethoxy)-4-phenyl-2H-chromen-2-one
-
-
7-(2-phenylethyl)-2-(pyridin-3-yl)quinolin-4(1H)-one
-
100% effect at 0.1 mM
7-hydroxy-4-phenyl-2H-chromen-2-one
-
-
7-methoxy-2-(pyridin-3-yl)quinolin-4(1H)-one
-
below 10% effect at 0.1 mM
7-methyl-2-(pyridin-3-yl)quinolin-4(1H)-one
-
40% effect at 0.1 mM
7-[(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)methoxy]-4-phenyl-2H-chromen-2-one
-
-
7-[hydroxy(phenyl)methyl]-2-(pyridin-3-yl)quinolin-4(1H)-one
-
80% effect at 0.1 mM
acetyl-Ala-Ala-Ala-(N,N'-dimethylglutaminal)
-
-
acetyl-LEALFQ-ethylpropionate
-
-
acetyl-Leu-Ala-Ala N,N-dimethylglutamine fluoroketone
-
irreversible inactivator
acetyl-Leu-Ala-Ala-(N,N'-dimethylglutaminal)
-
-
AL21-01
-
Agouron aldehydic compound, 8% inhibition at inhibitor concentration of 100 nM, 75% inhibition at inhibitor concentration of 1 microM, 92% inhibition at inhibitor concentration of 0.01 mM, 700 nM enzyme
-
ammonium trichloro (dioxoethylene-O,O')tellurate
-
-
Aprotinin
-
0.1 mM, 64% inhibition
benzyloxycarbonyl-Leu-Phe-(glutaminol)
-
-
benzyloxycarbonyl-Leu-Phe-L-(cyanomethyl-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N,N-dimethyl-glutaminyl)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-acetylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-benzoylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-butyloxycarbonylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-carbomethoxyamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-formylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-isobutyrylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-(N-propinylamino-alaninal)
-
-
benzyloxycarbonyl-Leu-Phe-L-glutaminal-hemiaminal
-
-
benzyloxycarbonyl-Leu-Phe-L-[(N-trifluoroacetyl)amino-alaninal]
-
-
benzyloxycarbonyl-Leu-Phe-L-[methional sulfoxide]
-
-
benzyloxycarbonyl-Leu-Phe-L-[N-(2-pyrrolidinone)-alaninal]
-
-
benzyloxycarbonyl-Leu-Phe-L-[N-(isoxazole-5-carbonyl)aminoalaninal]
-
-
benzyloxycarbonyl-Leu-Phe-L-[N-(N,N-dimethylcarbamoyl)amino-alaninal]
-
-
benzyloxycarbonyl-Leu-Phe-[(N-methylsulfonyl)amino-alaninal]
-
-
benzyloxycarbonyl-Leu-Phe-[N-(Me)Ac-amino-alaninal]
-
-
bis-vinylic organotellurane
-
-
calpastatin
-
0.8 mM, 30% inhibition
-
Cu2+
-
5 mM decreases protease activity remarkably relative to the level of activity before the extra cations were added
dimethyl 5-acetylbenzene-1,3-dicarboxylate
-
-
ethyl (2E)-3-[(2S,5S,14S)-2-(4-fluorobenzyl)-9-methyl-14-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-3,8,15-trioxo-1,4,9-triazacyclopentadecan-5-yl]prop-2-enoate
-
-
ethyl (2E,4S)-4-([(2S)-2-[3-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-2-oxopyridin-1(2H)-yl]pent-4-ynoyl]amino)-5-[(3R)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
compound AG7404
ethyl (2E,4S)-4-([(2S)-2-[3-[[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino]-2-oxopyridin-1(2H)-yl]pent-4-ynoyl]amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-([N-[(benzyloxy)carbonyl]-L-phenylalanyl]amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[(N-[5-[(tert-butoxycarbonyl)amino]-6-hydroxy-2-methyl-4-oxoheptan-2-yl]-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[(N6-acetyllysyl)amino]-7-amino-7-oxohept-2-enoate
-
-
ethyl (2E,4S)-4-[(tert-butoxycarbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[N-(5-amino-6-hydroxy-2-methyl-4-oxohexan-2-yl)-L-phenylalanyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
most potent inhibitor
ethyl (2E,4S)-4-[[N-(5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-6-hydroxy-2-methyl-4-oxoheptan-2-yl)-L-phenylalanyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2E,4S)-4-[[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
-
-
ethyl (2Z)-3-[4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinolin-6-yl]prop-2-enoate
-
90% effect at 0.1 mM
ethyl 3-amino-5-[1-(hydroxyamino)ethyl]benzoate
-
-
ethyl 3-[4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinolin-6-yl]propanoate
-
0% effect at 0.1 mM
ethyl 4-[2-(4-cinnamoyl)amino-1-oxo-3-phenyl]propylamino-5-(2-oxo-3-pyrrolidyl)-2-pentenoate
-
-
ethyl 4-[2-(tert-butoxycarbonyl)amino-1-oxo-3-phenyl]propylamino-5-(2-oxo-3-pyrrolidyl)-2-pentenoate
-
-
ethyl 4-[2-[3,4-(methylenedioxy)cinnamoyl]amino-1-oxo-3-phenyl]propylamino-5-(2-oxo-3-pyrrolidyl)-2-pentenoate
-
-
ethyl 4-[2-[4-(dimethylamino)cinnamoyl]amino-1-oxo-3-phenyl]propyl-amino-5-(2-oxo-3-pyrrolidyl)-2-pentenoate
-
-
ethyl [(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate
-
-
eukaryotic release factor 3
-
increasing concentrations of recombinant His-tagged eRF3 lead to partial inhibition of 3Cpro-proteolytic cleavage of poly(A) binding protein that increases modestly
-
furan-2-yl pyridine-3-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration
iodoacetic acid
-
0.4 mM, complete inhibition
LY338387
-
0.00022 mM, 19% inhibition
LY355455
-
0.00031 mM, 72% inhibition
LY362270
-
0.01 mM, 43% inhibition
methyl 3-benzamido-5-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}benzoate
-
-
methyl 3-benzyl-5-bromobenzoate
-
-
methyl 3-bromo-5-(5,8-dihydronaphthalen-2-ylmethyl)benzoate
-
-
methyl 3-bromo-5-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}benzoate
-
-
methyl methanethiosulfonate
-
almost complete inhibition at 0.05 mM
methyl-3-(benzylamino)-5-carbamoylbenzoate
-
-
methyl-3-amino-5-carbamoylbenzoate
-
-
methyl-3-carbamoyl-5-(dibenzylamino)benzoate
-
-
methyl-3-{2,2-difluoro-1-[(2-methoxyethoxy)methoxy]ethenyl}-5-{[(trifluoromethyl)sulfonyl]oxy}benzoate
-
-
N-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
-
-
N-(2-chloropyridin-3-yl)thiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-(5-chloropyridin-2-yl)thiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-(5-fluoropyridin-2-yl)thiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-(6-chloropyridin-3-yl)thiophene-2-carboxamide
-
19% inhibition at 10 microM inhibitor concentration
N-(benzyloxycarbonyl)-D-serine-beta-lactone
-
competitive reversible inhibitor
N-(benzyloxycarbonyl)-L-serine-beta-lactone
-
irreversible, inactivation of the enzyme occurs by nucleophilic attack of the cysteine thiol Cys172 at the beta-position of the oxetanione ring
N-(methylsulfonyl)-L-serine-beta-lactone
-
weak time-dependent inhibition
N-(phenethylsulfonyl)-D-serine-beta-lactone
-
irreversible
N-(phenethylsulfonyl)-L-serine-beta-lactone
-
reversible
N-(trans-beta-styrenesulfonyl)-D-serine-beta-lactone
-
reversible
N-(trans-beta-styrenesulfonyl)-L-serine-beta-lactone
-
reversible
N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-L-leucinamide
i.e. Michael acceptor peptidyl inhibitor (MAPI). Irreversible inhibitor in which the natural polyprotein substrate recognition sequence is linked to a propenyl ethyl ester moiety (X). The catalytic cysteine at position 139 of the enzyme is rapidly modified by the inhibitor
N-acetyl-L-leucyl-alanyl-alanyl-(N,N-dimethyl)-glutamine-(1,4-dioxo-3,4-dihydro-1H-phthalazin-2-yl)methyl ketone
-
-
N-acetyl-L-leucyl-alanyl-alanyl-(N,N-dimethyl)-glutamine-fluoromethyl ketone
-
-
N-acetyl-L-leucyl-phenylalanyl-phenylalanyl-glutamate-fluoromethyl ketone
-
-
N-benzoyl-L-alanyl-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]-6-ammonio-L-norleucinamide
-
-
N-Cbz-L-serine beta-lactone
-
irreversible inhibitor, associated with His 102 of the enzyme
N-ethylmaleimide
-
almost complete inhibition at 0.05 mM
N-iodoacetyl-Val-Phe-amide
-
irreversible inhibitor, alkylates the active site cysteine 172
N-methyl-3-[4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinolin-7-yl]propanamide
-
45% effect at 0.1 mM
N-methyl-4-oxo-2-(pyridin-3-yl)-1,4-dihydroquinoline-7-carboxamide
-
40% effect at 0.1 mM
N-pyridin-2-ylthiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-pyridin-3-ylthiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-pyridin-3-ylthiophene-2-sulfonamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-pyridin-4-ylthiophene-2-carboxamide
-
below 10% inhibition at 10 microM inhibitor concentration
N-[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(pentylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(phenylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-4-fluoro-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
docking modeling
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propylamino)butan-2-yl]-4-fluoro-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(phenylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(butylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(butylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(cyclohexylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-4-fluoro-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(cyclohexylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(cyclohexylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-4-fluoro-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(dodecylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(hexylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(methylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-(tert-butylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-[(2-methylpropyl)amino]-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-[(4-methylphenyl)amino]-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-[(4-nitrophenyl)amino]-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S)-4-[(furan-2-ylmethyl)amino]-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(2S,5S,14S)-2-(4-fluorobenzyl)-5-formyl-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
crystal structure of 4 in complex with HRV2 3C protease (PDB ID 6FFS)
N-[(2S,5S,14S)-5-[azetidin-1-yl(oxo)acetyl]-2-(4-fluorobenzyl)-9-methyl-3,8,15-trioxo-1,4,9-triazacyclopentadecan-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(3S,12S,16S,17aS)-3-formyl-7-methyl-1,6,13-trioxo-16-phenylhexadecahydro-1H-pyrrolo[1,2-a][1,4,9]triazacyclopentadecin-12-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(4S,7S,10S,17aR)-7-(4-fluorobenzyl)-10-formyl-1,5,8,13-tetraoxohexadecahydro-1H-pyrrolo[1,2-a][1,4,8,11]tetraazacyclopentadecin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-leucyl-N-[(2S)-1-(acetylamino)-3-oxopropan-2-yl]-4-fluoro-L-phenylalaninamide
-
-
N-[(5S,8S,11S)-8-(4-fluorobenzyl)-11-formyl-2,6,9,14-tetraoxooctadecahydropyrrolo[2,1-k][1,4,8,12]tetraazacyclohexadecin-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(5S,8S,11S,13E,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10-trioxo-16-oxa-1,6,9-triazabicyclo[15.2.1]icos-13-en-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(5S,8S,11S,13Z,19S)-8-(4-fluorobenzyl)-5-formyl-2,7,10-trioxo-18-oxa-1,6,9-triazabicyclo[17.2.1]docos-13-en-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(5S,8S,11S,17S)-8-(4-fluorobenzyl)-5-formyl-2,7,10,16-tetraoxo-1,6,9,15-tetraazabicyclo[15.2.1]icos-11-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(6S,9S,12S)-9-(4-fluorobenzyl)-12-formyl-1-methyl-3,7,10,15-tetraoxo-1,4,8,11-tetraazacyclopentadecan-6-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-3-methyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(7S,10S,13S)-10-(4-fluorobenzyl)-7-formyl-4,9,12-trioxo-3,8,11-triazabicyclo[12.3.1]octadeca-1(18),14,16-trien-13-yl]-5-methyl-1,2-oxazole-3-carboxamide
-
-
N-[(benzyloxy)carbonyl]glycyl-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-isoleucinamide
-
-
N-[(benzyloxy)carbonyl]glycyl-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
-
N-[(benzyloxy)carbonyl]glycyl-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-norleucinamide
-
-
N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
-
-
N2-(morpholin-4-ylcarbonyl)-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
N6-(1-acetylprolylalanyl)-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]lysinamide
-
-
N6-(N-acetylalanyl)-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]lysinamide
-
-
N6-(N-acetylalanylprolylalanyl)-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]lysinamide
-
-
N6-(prolylalanyl)-N-[(2E,4S)-7-amino-1-ethoxy-1,7-dioxohept-2-en-4-yl]lysinamide
-
-
Na+
-
the enzyme is strongly inhibited by 200 mM Na+
Nalpha-(tert-butoxycarbonyl)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl]-4-fluoro-L-phenylalaninamide
-
-
Nalpha-[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
Nalpha-[(2E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
Nalpha-[(2E)-3-(4-methylphenyl)prop-2-enoyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
Nalpha-[(2E)-4-(5-methyl-1,2-oxazol-3-yl)but-2-enoyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(propan-2-ylamino)butan-2-yl]-4-fluoro-L-phenylalaninamide
-
-
Nalpha-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
Nalpha-{(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
-
-
PABP-interacting protein 2
-
increasing concentrations of 1-3 microg inhibit cleavage of poly(A) binding protein by 3Cpro in a dose-dependent manner
-
peptide-mimetic monofluoromethyl ketones
-
-
-
phenylmethylsulfonyl fluoride
-
-
PMSF
-
1.7 mM, 32% inhibition
poliovirus-encoded nonstructural polypeptide 2B
-
low but detectable activity
-
poliovirus-encoded nonstructural polypeptide 2BC
-
efficiently blocks 3Cpro activity
-
poliovirus-encoded nonstructural polypeptide 2C
-
efficiently blocks 3Cpro activity, inhibits 3Cpro-catalyzed cleavage of cellular transcription factors at Q-G sites in vitro
-
pyridin-2-yl thiophene-2-carboxylate
-
89% inhibition at 10 microM inhibitor concentration, 8% inhibition at 1 microM inhibitor concentration
pyridin-3-yl furan-2-carboxylate
-
8% inhibition at 0.001 mM
pyridin-3-yl thiophene-2-carboxylate
-
83% inhibition at 10 microM inhibitor concentration, 21% inhibition at 1 microM inhibitor concentration
pyridin-4-yl thiophene-2-carboxylate
-
below 10% inhibition at 10 microM inhibitor concentration, 10% inhibition at 1 microM inhibitor concentration
TLCK
-
0.2 mM, 51% inhibition
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
-
(2S)-2-([N-[(benzyloxy)carbonyl]-L-leucyl]amino)-1-hydroxy-3-(2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
-
-
1,3-diphenyl-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
1,3-diphenyl-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
1-(2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)acetyl)-4-ethylthiosemicarbazide
-
enzyme binding and protein interactions analysis
1-(2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)acetyl)-4-ethylthiosemicarbazide
-
enzyme binding and protein interactions analysis
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-(4-chlorophenyl)ethylidene)acetohydrazide
-
enzyme binding and protein interactions analysis
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-(4-chlorophenyl)ethylidene)acetohydrazide
-
enzyme binding and protein interactions analysis
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-phenylethylidene)acetohydrazide
-
-
2-(2-oxo-4-phenyl-2H-chromen-7-yloxy)-N'-(1-phenylethylidene)acetohydrazide
-
enzyme binding and protein interactions analysis
3-phenyl-1-(3,4-dichlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(3,4-dichlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(3-chlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(3-chlorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(3-nitrophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(3-nitrophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-chlorophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-chlorophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-cyanophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-cyanophenyl)-4-(4-carboxybenzylidene)-pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-fluorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-fluorophenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-methoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-methoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-trifluoromethoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
3-phenyl-1-(4-trifluoromethoxyphenyl)-4-(4-carboxybenzylidene)pyrazol-5(4H)-one
-
-
5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, 36% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate
-
89% inhibition at 0.001 mM
5-chloropyridin-3-yl benzoate
-
above 90% inhibition at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, below 10% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl benzoate
-
59% inhibition at 0.001 mM
5-chloropyridin-3-yl furan-2-carboxylate
-
above 90% inhibition at 10 microM inhibitor concentration, above 90%% inhibition at 1 microM inhibitor concentration, 49% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl furan-2-carboxylate
-
87% inhibition at 0.001 mM
5-chloropyridin-3-yl thiophene-2-carboxylate
-
93% inhibition at 10 microM inhibitor concentration; above 90% inhibition at 10 microM inhibitor concentration, above 90% inhibition at 1 microM inhibitor concentration, 50% inhibition at 0.25 microM inhibitor concentration
5-chloropyridin-3-yl thiophene-2-carboxylate
-
64% inhibition at 0.001 mM
acyclovir
-
-
AG7088
-
inhibitor with potent antiviral activity against multiple human rhinovirus serotypes, highly specific for picornavirus 3C proteases having negligible inhibitory activity against a panel of mammalian cysteine proteases, including cathepsin B, elastase, chymotrypsin, trypsin and calpain
AG7088
-
irreversible inhibitor, inhibits virus replication as well as cytokine production in a human bronchial epithelial cell line, BEAS-2B
AG7088
-
potent irreversible inhibitor, in vitro activity against a variety of different HRV serotypes as well as related picornaviruses in different cell-based systems
AG7088
-
inhibits all 48 serotypes of rhinoviruses
AG7088
-
3Cpro specific inhibitor, late addition of AG7088 to HeLa cells inhibits production of HRV-A16. Inhibition of 3Cpro by AG7088 early in infection (prior to onset of virion production) has stronger effects than late addition, due to inhibition of poly-protein processing
chymostatin
-
-
chymostatin
-
0.1 mM, 54% inhibition
Hg2+
-
-
Hg2+
-
5 mM decreases protease activity remarkably relative to the level of activity before the extra cations were added
iodoacetamide
-
-
iodoacetamide
-
only wild-type enzyme, not C147S-mutant
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(2S)-1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
-
N2-[(benzyloxy)carbonyl]-N-[(2S)-3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-L-leucinamide
-
-
NEM
-
-
rupintrivir
YP_007969882
i.e. AG7088
rupintrivir
-
irreversible inhibitor of human enterovirus strains (4 of 4)
rupintrivir
potent inhibitor
rupintrivir
-
potent in vitro activity against 23 clinical isolates tested in H1-HeLa cell protection assays
rupintrivir
the activity of HRV16 3C protease is clearly inhibited by Rupintrivir treatment as viral polyprotein (P1) processing is downregulated
Zn2+
-
5 mM decreases protease activity remarkably relative to the level of activity before the extra cations were added
Zn2+
-
2.0 mM ZnCl2, complete inhibition
additional information
-
no inhibition by Triton X-100, that inhibits picornain 3CD
-
additional information
-
no inhibition by acetyl-Leu-Ala-Ala-Gln'-thioester
-
additional information
-
inhibitor synthesis and assay for their biochemical and antiviral activities, structure-activity relationship (SAR) study, ligand docking, overview. The small moieties are primarily tolerated at P1' and the introduction of para-fluoro benzyl at P2 notably improves the inhibitor's potency
-
additional information
-
no inhibition by benzyloxycarbonyl-VAD-(O-methyl)-fluoromethylketone
-
additional information
-
no inhibition by Triton X-100
-
additional information
-
-
-
additional information
-
not inhibited by the viral RNA polymerase 3Dpol
-
additional information
-
no inhibition by acetyl-Leu-Ala-Ala-Gln'-thioester
-
additional information
-
a series of 4-phenylcoumarin derivatives is designed and synthesized starting from (2-oxo-4-phenyl-2H-chromen-7-yloxy) acetic acid hydrazide. Evaluation of the target compounds for their antiviral activity against hepatitis A virus reveals that 4-phenylcoumarin derivatives are potent 3C protease inhibitors, anti-HAV effect and molecular modeling, 3D-pharmacophore and quantitative structure activity relationship (QSAR) models, overview. The ethylthiosemicarbazide derivative is the most potent virucidal agent and the Schiff's bases cause the highest virustatic effects against viral adsorption and replication, respectively. Docking within the pocket site of HAV 3C protease (using the structure with PDB ID 2HAL) illustrates a strong H-profile with the key amino acids Gly170 and Cys172 similar to the co-crystallized ligand. Generation of pharmacophore and quantitative structure activity relationship (QSAR) models. Cytotoxicity and antiviral effect of the synthesized compounds on HAV 3C protease, detailed overview
-
additional information
-
efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview
-
additional information
-
inhibitors possess an electophilic moiety, often a Michael acceptor function, which covalently binds to a cysteine in the active site of the enzyme, key step for virus inactivation
-
additional information
-
efficiency of inhibitors in inhibition of virus replication, quantitative realtime PCR expression analysis, overview
-
additional information
-
design, synthesis, and evaluation of 2,2-dimethyl-1,3-dioxolane derivatives as human rhinovirus 3C protease inhibitors. Virtual screening. Structure-function analysis, docking studies
-
additional information
-
a series of 4-phenylcoumarin derivatives is designed and synthesized starting from (2-oxo-4-phenyl-2Hchromen-7-yloxy) acetic acid 2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetohydrazide. Evaluation of the target compounds for their antiviral activity against hepatitis A virus reveals that 4-phenylcoumarin derivatives are potent 3C protease inhibitors, anti-HRV effect and molecular modeling, 3D-pharmacophore and quantitative structure activity relationship (QSAR) models, overview. The ethylthiosemicarbazide derivative is the most potent virucidal agent and the Schiff's bases cause the highest virustatic effects against viral adsorption and replication, respectively. Generation of pharmacophore and quantitative structure activity relationship (QSAR) models
-
additional information
-
HRV 3C protease activity is completely abolished in the presence of eight detergents (C-HEGA1-10, C-HEGA1-9, HEGA1-8, CYMAL1-2, n-decyl-N,N-dimethylglycine, MEGA-8, FOS-choline1-8 and ANAPOE1-20)
-
additional information
-
no inhibition by benzyloxycarbonyl-VAD-(O-methyl)-fluoromethylketone or QVD
-
additional information
-
design and synthesis of macrocyclic inhibitors of human rhinovirus 3C protease, overview. Macrocyclization is a good way to improve the potency and ADME properties of peptidomimetics. Cyclization of peptidomimetic molecules can lead to increased potency by picking up additional interactions on the protein surface and reducing the entropic penalty inherent in binding a peptide-like structure to a protein
-