| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50388471 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_829953 (CHEMBL2061658) |
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| IC50 | >10000±n/a nM |
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| Citation |  Ren, F; Deng, G; Wang, H; Luan, L; Meng, Q; Xu, Q; Xu, H; Xu, X; Zhang, H; Zhao, B; Li, C; Guo, TB; Yang, J; Zhang, W; Zhao, Y; Jia, Q; Lu, H; Xiang, JN; Elliott, JD; Lin, X Discovery of novel 1,2,4-thiadiazole derivatives as potent, orally active agonists of sphingosine 1-phosphate receptor subtype 1 (S1P(1)). J Med Chem55:4286-96 (2012) [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 |
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| Synonyms: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50388471 |
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| n/a |
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| Name | BDBM50388471 |
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| Synonyms: | CHEMBL2057282 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H32ClN3O3S |
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| Mol. Mass. | 514.079 |
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| SMILES | CCc1c(CCN2CCC(CC2)C(O)=O)cccc1-c1nsc(n1)-c1ccc(OC(C)C)c(Cl)c1 |
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| Structure | 
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