Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50169700 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1576884 (CHEMBL3806593) |
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IC50 | >25000±n/a nM |
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Citation | Kavanagh, ME; Coyne, AG; McLean, KJ; James, GG; Levy, CW; Marino, LB; de Carvalho, LP; Chan, DS; Hudson, SA; Surade, S; Leys, D; Munro, AW; Abell, C Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors. J Med Chem59:3272-302 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C19 |
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Name: | Cytochrome P450 2C19 |
Synonyms: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50169700 |
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n/a |
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Name | BDBM50169700 |
Synonyms: | CHEMBL3806115 |
Type | Small organic molecule |
Emp. Form. | C21H18N4O |
Mol. Mass. | 342.3938 |
SMILES | Nc1[nH]nc(c1-c1cccc(c1)-c1cccc(N)c1)-c1ccc(O)cc1 |
Structure |
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