| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50448105 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1293805 (CHEMBL3123417) |
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| IC50 | >10000±n/a nM |
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| Citation |  Zhang, N; Zhang, X; Zhu, J; Turpoff, A; Chen, G; Morrill, C; Huang, S; Lennox, W; Kakarla, R; Liu, R; Li, C; Ren, H; Almstead, N; Venkatraman, S; Njoroge, FG; Gu, Z; Clausen, V; Graci, J; Jung, SP; Zheng, Y; Colacino, JM; Lahser, F; Sheedy, J; Mollin, A; Weetall, M; Nomeir, A; Karp, GM Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B. J Med Chem57:2121-35 (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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| BDBM50448105 |
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| n/a |
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| Name | BDBM50448105 |
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| Synonyms: | CHEMBL3121800 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H19F4N5O2S |
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| Mol. Mass. | 517.499 |
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| SMILES | CCc1cc2n(c(c(C#N)c2cc1F)-c1ccc(cn1)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1ccccn1 |r| |
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| Structure | 
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