Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50113476 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1510831 (CHEMBL3606595) |
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IC50 | <15849±n/a nM |
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Citation | Christopher, JA; Aves, SJ; Bennett, KA; Doré, AS; Errey, JC; Jazayeri, A; Marshall, FH; Okrasa, K; Serrano-Vega, MJ; Tehan, BG; Wiggin, GR; Congreve, M Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile). J Med Chem58:6653-64 (2015) [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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BDBM50113476 |
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n/a |
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Name | BDBM50113476 |
Synonyms: | CHEMBL3603923 | US10246432, Example 17 | US10584111, Ex No. 17 | US11584732, Example 17 |
Type | Small organic molecule |
Emp. Form. | C16H8ClFN4 |
Mol. Mass. | 310.713 |
SMILES | Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N |
Structure |
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