| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM342904 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1662548 (CHEMBL4012229) |
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| IC50 | 430±n/a nM |
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| Citation |  Weiss, MM; Dineen, TA; Marx, IE; Altmann, S; Boezio, A; Bregman, H; Chu-Moyer, M; DiMauro, EF; Feric Bojic, E; Foti, RS; Gao, H; Graceffa, R; Gunaydin, H; Guzman-Perez, A; Huang, H; Huang, L; Jarosh, M; Kornecook, T; Kreiman, CR; Ligutti, J; La, DS; Lin, MJ; Liu, D; Moyer, BD; Nguyen, HN; Peterson, EA; Rose, PE; Taborn, K; Youngblood, BD; Yu, V; Fremeau, RT Sulfonamides as Selective Na J Med Chem60:5969-5989 (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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| BDBM342904 |
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| n/a |
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| Name | BDBM342904 |
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| Synonyms: | 1-(2-fluoro-5-methoxy-3'-(trifluoromethyl)-4-biphenylyl)-N-3-isoxazolyl-6-isoquinolinesulfonamide | US9776995, Example 115 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H17F4N3O4S |
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| Mol. Mass. | 543.489 |
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| SMILES | COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(c1)C(F)(F)F |
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| Structure | 
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