| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50249047 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1679703 (CHEMBL4029980) |
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| IC50 | 4700±n/a nM |
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| Citation |  Hoyt, SB; Taylor, J; London, C; Ali, A; Ujjainwalla, F; Tata, J; Struthers, M; Cully, D; Wisniewski, T; Ren, N; Bopp, C; Sok, A; Verras, A; McMasters, D; Chen, Q; Tung, E; Tang, W; Salituro, G; Clemas, J; Zhou, G; MacNeil, D; Duffy, R; Xiong, Y Discovery of indazole aldosterone synthase (CYP11B2) inhibitors as potential treatments for hypertension. Bioorg Med Chem Lett27:2384-2388 (2017) [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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| BDBM50249047 |
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| n/a |
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| Name | BDBM50249047 |
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| Synonyms: | CHEMBL4080420 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H16FN3O |
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| Mol. Mass. | 285.3161 |
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| SMILES | Cc1nn(-c2cncc(c2)C(C)(C)O)c2cccc(F)c12 |
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| Structure | 
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