Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM231435 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1662649 (CHEMBL4012330) |
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IC50 | 250±n/a nM |
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Citation | Graceffa, RF; Boezio, AA; Able, J; Altmann, S; Berry, LM; Boezio, C; Butler, JR; Chu-Moyer, M; Cooke, M; DiMauro, EF; Dineen, TA; Feric Bojic, E; Foti, RS; Fremeau, RT; Guzman-Perez, A; Gao, H; Gunaydin, H; Huang, H; Huang, L; Ilch, C; Jarosh, M; Kornecook, T; Kreiman, CR; La, DS; Ligutti, J; Milgram, BC; Lin, MJ; Marx, IE; Nguyen, HN; Peterson, EA; Rescourio, G; Roberts, J; Schenkel, L; Shimanovich, R; Sparling, BA; Stellwagen, J; Taborn, K; Vaida, KR; Wang, J; Yeoman, J; Yu, V; Zhu, D; Moyer, BD; Weiss, MM Sulfonamides as Selective Na J Med Chem60:5990-6017 (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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM231435 |
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n/a |
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Name | BDBM231435 |
Synonyms: | US9346798, 182 |
Type | Small organic molecule |
Emp. Form. | C19H16F3N3O4S2 |
Mol. Mass. | 471.473 |
SMILES | COc1cc(ccc1N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F |
Structure |
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