| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50303157 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_594888 (CHEMBL1038939) |
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| IC50 | 10300±n/a nM |
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| Citation |  Su, DS; Lim, JJ; Tinney, E; Wan, BL; Young, MB; Anderson, KD; Rudd, D; Munshi, V; Bahnck, C; Felock, PJ; Lu, M; Lai, MT; Touch, S; Moyer, G; DiStefano, DJ; Flynn, JA; Liang, Y; Sanchez, R; Perlow-Poehnelt, R; Miller, M; Vacca, JP; Williams, TM; Anthony, NJ Biaryl ethers as novel non-nucleoside reverse transcriptase inhibitors with improved potency against key mutant viruses. J Med Chem52:7163-9 (2009) [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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| BDBM50303157 |
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| n/a |
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| Name | BDBM50303157 |
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| Synonyms: | 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloro-3-fluorophenoxy}-5-chlorobenzonitrile | CHEMBL572324 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H12Cl2FN5O2 |
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| Mol. Mass. | 444.246 |
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| SMILES | Nc1ccc2c(COc3cc(F)c(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 |
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| Structure | 
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