| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50398045 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_873425 (CHEMBL2186100) |
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| IC50 | 900±n/a nM |
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| Citation |  Beaulieu, PL; Bös, M; Cordingley, MG; Chabot, C; Fazal, G; Garneau, M; Gillard, JR; Jolicoeur, E; LaPlante, S; McKercher, G; Poirier, M; Poupart, MA; Tsantrizos, YS; Duan, J; Kukolj, G Discovery of the first thumb pocket 1 NS5B polymerase inhibitor (BILB 1941) with demonstrated antiviral activity in patients chronically infected with genotype 1 hepatitis C virus (HCV). J Med Chem55:7650-66 (2012) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C19 |
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| Name: | Cytochrome P450 2C19 |
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| Synonyms: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50398045 |
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| n/a |
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| Name | BDBM50398045 |
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| Synonyms: | CHEMBL2181618 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H36N4O4 |
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| Mol. Mass. | 576.6847 |
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| SMILES | Cn1c(c(C2CCCC2)c2ccc(cc12)C(=O)NC1(CCCC1)C(=O)Nc1ccc(\C=C\C(O)=O)cc1)-c1ccccn1 |
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| Structure | 
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