Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50410619 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_326550 (CHEMBL864490) |
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IC50 | 330±n/a nM |
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Citation | Quattropani, A; Dorbais, J; Covini, D; Pittet, PA; Colovray, V; Thomas, RJ; Coxhead, R; Halazy, S; Scheer, A; Missotten, M; Ayala, G; Bradshaw, C; De Raemy-Schenk, AM; Nichols, A; Cirillo, R; Tos, EG; Giachetti, C; Golzio, L; Marinelli, P; Church, DJ; Barberis, C; Chollet, A; Schwarz, MK Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. J Med Chem48:7882-905 (2005) [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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BDBM50410619 |
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n/a |
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Name | BDBM50410619 |
Synonyms: | CHEMBL2113208 |
Type | Small organic molecule |
Emp. Form. | C27H27ClN4O7S |
Mol. Mass. | 587.044 |
SMILES | COCCOCCOc1ccc(cc1)S(=O)(=O)N(CC(=O)N\N=C1/C(=O)Nc2ccccc12)c1ccc(Cl)cc1 |
Structure |
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