Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50209103 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1633795 (CHEMBL3876587) |
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IC50 | 620±n/a nM |
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Citation | Higgins, MA; Marcin, LR; Christopher Zusi, F; Gentles, R; Ding, M; Pearce, BC; Easton, A; Kostich, WA; Seager, MA; Bourin, C; Bristow, LJ; Johnson, KA; Miller, R; Hogan, J; Whiterock, V; Gulianello, M; Ferrante, M; Huang, Y; Hendricson, A; Alt, A; Macor, JE; Bronson, JJ Triazolopyridine ethers as potent, orally active mGlu Bioorg Med Chem25:496-513 (2017) [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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BDBM50209103 |
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n/a |
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Name | BDBM50209103 |
Synonyms: | CHEMBL3885379 |
Type | Small organic molecule |
Emp. Form. | C21H19ClF3N3O |
Mol. Mass. | 421.843 |
SMILES | FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 |r| |
Structure |
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