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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Genome polyprotein | ||
| Ligand | BDBM50336504 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1437305 (CHEMBL3384808) | ||
| Ki | 0.360000±n/a nM | ||
| Citation |  Lampa, A; Alogheli, H; Ehrenberg, AE; Åkerblom, E; Svensson, R; Artursson, P; Danielson, UH; Karlén, A; Sandström, A Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. Bioorg Med Chem22:6595-615 (2015) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Genome polyprotein | |||
| Name: | Genome polyprotein | ||
| Synonyms: | Nonstructural protein NS3-4A | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 71633.49 | ||
| Organism: | Hepatitis C virus | ||
| Description: | ChEMBL_109716 | ||
| Residue: | 674 | ||
| Sequence: |
| ||
| BDBM50336504 | |||
| n/a | |||
| Name | BDBM50336504 | ||
| Synonyms: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide | (2R,3aR,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | (2R,3aR,11aS,12aR,14aR,Z)-N-(cyclopropylsulfonyl)-2-(2-(4-isopropylthiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy)-5-methyl-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,12a,13,14,14a-hexadecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a-carboxamide | CHEMBL501849 | N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo [13.3.0.0'4,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide | US8741926, 47 | US8754106, 47 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H47N5O7S2 | ||
| Mol. Mass. | 749.939 | ||
| SMILES | COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22| | ||
| Structure | 
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