Application | Comment | Organism |
---|---|---|
drug development | very potent NS3 protease inhibitors encompassing the 4-hydroxy-cyclopent-2-ene-1,2-dicarboxylic acid, a N-acyl-Lhydroxyproline mimic, in the P2-position. These inhibitors display two carboxy terminus where the P2 template induces a reversal of direction of the P3/P4 amino acid chain | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1R,2S)-1-[([(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopentyl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl](methyl)carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
(2S)-2-[([(1R,4R)-2-[[(1R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]butanoic acid | - |
Hepacivirus C | |
(2S)-2-[[(2-[[(1S)-1-(methoxycarbonyl)-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
(S)-2-[[(1R,4R)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid | - |
Hepacivirus C | |
(S)-2-[[(1S,4S)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonylmethyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid | - |
Hepacivirus C | |
N-([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline | - |
Hepacivirus C | |
N-([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline | - |
Hepacivirus C | |
N-[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]-L-norvaline | - |
Hepacivirus C | |
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate | - |
Hepacivirus C | |
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate | - |
Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Ac-Asp-Glu-Asp(EDANS)-Glu-Glu-Abu-psi-[COO]Ala-Ser-Lys(DABCYL)-NH2 + H2O | - |
Hepacivirus C | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
NS3 protease | - |
Hepacivirus C |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
additional information | NS4A cofactor, KKGSVVIVGRIVLSGK | Hepacivirus C |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0000011 | - |
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.0000013 | - |
(1R,2S)-1-[([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.000016 | - |
(1R,2S)-1-[([(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopentyl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.000023 | - |
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.000024 | - |
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.00003 | - |
(S)-2-[[(1R,4R)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid | - |
Hepacivirus C | |
0.000067 | - |
N-[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]-L-norvaline | - |
Hepacivirus C | |
0.000102 | - |
N-([(1R,4R)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline | - |
Hepacivirus C | |
0.000108 | - |
(1R,2S)-1-[([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C | |
0.00028 | - |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
0.000503 | - |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
0.000523 | - |
(2S)-2-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
0.002 | - |
(2S)-2-[[(2-[[(1S)-1-(methoxycarbonyl)-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]butanoic acid | - |
Hepacivirus C | |
0.002 | - |
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate | - |
Hepacivirus C | |
0.002 | - |
tert-butyl (1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylate | - |
Hepacivirus C | |
0.002 | - |
(2S)-2-[([(1R,4R)-2-[[(1R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)amino]butanoic acid | - |
Hepacivirus C | |
0.002 | - |
(S)-2-[[(1S,4S)-2-[(R)-1-[((S)-cyclohexyl-methoxycarbonylmethyl)-carbamoyl]-2,2-dimethyl-propylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopent-2-enecarbonyl]-amino]-pentanoic acid | - |
Hepacivirus C | |
0.00256 | - |
N-([(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-2-methylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl]carbonyl)-L-norvaline | - |
Hepacivirus C | |
0.005 | - |
(1R,2S)-1-[[(2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl](methyl)carbamoyl]-2,2-dimethylpropyl]carbamoyl]-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]cyclopent-2-en-1-yl)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid | - |
Hepacivirus C |