| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50441246 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_984596 (CHEMBL2434090) |
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| IC50 | >5000±n/a nM |
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| Citation |  Schoenfeld, RC; Bourdet, DL; Brameld, KA; Chin, E; de Vicente, J; Fung, A; Harris, SF; Lee, EK; Le Pogam, S; Leveque, V; Li, J; Lui, AS; Najera, I; Rajyaguru, S; Sangi, M; Steiner, S; Talamas, FX; Taygerly, JP; Zhao, J Discovery of a novel series of potent non-nucleoside inhibitors of hepatitis C virus NS5B. J Med Chem56:8163-82 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C9 |
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| Name: | Cytochrome P450 2C9 |
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| Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50441246 |
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| n/a |
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| Name | BDBM50441246 |
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| Synonyms: | CHEMBL2431456 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H30N2O4S |
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| Mol. Mass. | 454.582 |
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| SMILES | COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1ccc[nH]c1=O |
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| Structure | 
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