| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50448861 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1296149 (CHEMBL3131783) |
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| IC50 | >50000±n/a nM |
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| Citation |  Encinas, L; O'Keefe, H; Neu, M; Remuiñán, MJ; Patel, AM; Guardia, A; Davie, CP; Pérez-Macías, N; Yang, H; Convery, MA; Messer, JA; Pérez-Herrán, E; Centrella, PA; Alvarez-Gómez, D; Clark, MA; Huss, S; O'Donovan, GK; Ortega-Muro, F; McDowell, W; Castañeda, P; Arico-Muendel, CC; Pajk, S; Rullás, J; Angulo-Barturen, I; Alvarez-Ruíz, E; Mendoza-Losana, A; Ballell Pages, L; Castro-Pichel, J; Evindar, G Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA. J Med Chem57:1276-88 (2014) [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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| BDBM50448861 |
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| n/a |
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| Name | BDBM50448861 |
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| Synonyms: | CHEMBL3125272 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H27N5O4 |
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| Mol. Mass. | 437.4916 |
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| SMILES | CCNC(=O)[C@@H]1C[C@H](CN1C(=O)c1coc2ccccc12)NC(=O)c1cc(CC)nn1C |r| |
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| Structure | 
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