Crystallization (Comment) | Organism |
---|---|
modeling of enzyme active site with inhibitor N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(2-phenylquinolin-4-yl)oxy]-L-prolinamide | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
N-(cyclohexylacetyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000037 mM | Hepacivirus C | |
N-(cyclohexylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000009 mM | Hepacivirus C | |
N-(cyclopentylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000005 mM | Hepacivirus C | |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[[7-(acetylamino)-2-phenylquinolin-4-yl]oxy]-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide | 50% inhibition at 0.000029 mM | Hepacivirus C | |
N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000029 mM | Hepacivirus C | |
N-(tert-butylcarbamoyl)-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000008 mM | Hepacivirus C | |
N-acetyl-L-alpha-aspartyl-N-[(1S)-2-[[(1S)-1-([(2S,4R)-2-[[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]carbamoyl]-4-[(2-phenylquinolin-4-yl)oxy]pyrrolidin-1-yl]carbonyl)-2,2-dimethylpropyl]amino]-1-cyclohexyl-2-oxoethyl]-D-alpha-glutamine | - |
Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000001 mM | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000013 mM, no inhibition of human leukocyte elastase, cathepsin B | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(6-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000041 mM | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7,8-dimethoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000013 mM | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000002 mM | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000005 mM | Hepacivirus C | |
N-[(2S)-2-(acetylamino)-2-cyclohexylacetyl]-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[[2-(3-methoxyphenyl)quinolin-4-yl]oxy]-L-prolinamide | 50% inhibition at 0.000010 mM | Hepacivirus C | |
N-[(2S)-2-amino-2-cyclohexylacetyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000018 mM | Hepacivirus C | |
N-[(2S)-2-cyclohexylpropanoyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000037 mM | Hepacivirus C | |
N-[(2S)-2-[(N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl)amino]-2-cyclohexylacetyl]-L-valyl-(4S)-4-(naphthalen-2-ylmethoxy)-D-prolyl-D-norvaline | - |
Hepacivirus C | |
N-[(cyclobutyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000024 mM | Hepacivirus C | |
N-[(cyclohexyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000030 mM | Hepacivirus C | |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide | 50% inhibition at 0.000014 mM | Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | - |
- |
- |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00000074 | - |
N-acetyl-L-alpha-aspartyl-N-[(1S)-2-[[(1S)-1-([(2S,4R)-2-[[(1S,2R)-1-carboxy-2-ethenylcyclopropyl]carbamoyl]-4-[(2-phenylquinolin-4-yl)oxy]pyrrolidin-1-yl]carbonyl)-2,2-dimethylpropyl]amino]-1-cyclohexyl-2-oxoethyl]-D-alpha-glutamine | - |
Hepacivirus C | |
0.000003 | - |
N-[(2S)-2-[(N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl)amino]-2-cyclohexylacetyl]-L-valyl-(4S)-4-(naphthalen-2-ylmethoxy)-D-prolyl-D-norvaline | - |
Hepacivirus C |