| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50438936 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1624824 (CHEMBL3867236) |
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| IC50 | >10000±n/a nM |
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| Citation |  Zak, M; Yuen, PW; Liu, X; Patel, S; Sampath, D; Oeh, J; Liederer, BM; Wang, W; O'Brien, T; Xiao, Y; Skelton, N; Hua, R; Sodhi, J; Wang, Y; Zhang, L; Zhao, G; Zheng, X; Ho, YC; Bair, KW; Dragovich, PS Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors. J Med Chem59:8345-68 (2016) [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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| BDBM50438936 |
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| n/a |
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| Name | BDBM50438936 |
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| Synonyms: | CHEMBL2420629 | GNE-617 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H15F2N3O3S |
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| Mol. Mass. | 427.424 |
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| SMILES | Fc1cc(F)cc(c1)S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1 |
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| Structure | 
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