| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C8 |
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| Ligand | BDBM50113476 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1510830 (CHEMBL3606594) |
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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 2C8 |
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| Name: | Cytochrome P450 2C8 |
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| Synonyms: | CP2C8_HUMAN | CYP2C8 | CYPIIC8 | Cytochrome P450 2C8 (CYP2C8) | P450 IIC2 | P450 MP-12/MP-20 | P450 form 1 | S-mephenytoin 4-hydroxylase |
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| Type: | Protein |
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| Mol. Mass.: | 55839.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10632 |
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| Residue: | 490 |
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| Sequence: | MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDICKSFTNFSKV
YGPVFTVYFGMNPIVVFHGYEAVKEALIDNGEEFSGRGNSPISQRITKGLGIISSNGKRW
KEIRRFSLTTLRNFGMGKRSIEDRVQEEAHCLVEELRKTKASPCDPTFILGCAPCNVICS
VVFQKRFDYKDQNFLTLMKRFNENFRILNSPWIQVCNNFPLLIDCFPGTHNKVLKNVALT
RSYIREKVKEHQASLDVNNPRDFIDCFLIKMEQEKDNQKSEFNIENLVGTVADLFVAGTE
TTSTTLRYGLLLLLKHPEVTAKVQEEIDHVIGRHRSPCMQDRSHMPYTDAVVHEIQRYSD
LVPTGVPHAVTTDTKFRNYLIPKGTTIMALLTSVLHDDKEFPNPNIFDPGHFLDKNGNFK
KSDYFMPFSAGKRICAGEGLARMELFLFLTTILQNFNLKSVDDLKNLNTTAVTKGIVSLP
PSYQICFIPV
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| BDBM50113476 |
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| n/a |
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| Name | BDBM50113476 |
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| Synonyms: | CHEMBL3603923 | US10246432, Example 17 | US10584111, Ex No. 17 | US11584732, Example 17 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H8ClFN4 |
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| Mol. Mass. | 310.713 |
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| SMILES | Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N |
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| Structure | 
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