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TargetCytochrome P450 2C19
LigandBDBM50239717
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666755
IC50>20000±n/a nM
Citation Liu QShi QMarcoux DBatt DGCornelius LQin LYRuan ZNeels JBeaudoin-Bertrand MSrivastava ASLi LCherney RJGong HWatterson SHWeigelt CGillooly KMMcIntyre KWXie JHObermeier MTFura ASleczka BStefanski KFancher RMPadmanabhan SRp TKundu IRajareddy KSmith RHennan JKXing DFan JLevesque PCRuan QPitt SZhang RPedicord DPan JYarde MLu HLippy JGoldstine CSkala SRampulla RAMathur AGupta AArunachalam PNSack JSMuckelbauer JKCvijic MESalter-Cid LMBhide RSPoss MAHynes JCarter PHMacor JERuepp SSchieven GLTino JA Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase? (PI3K?) Inhibitor for the Treatment of Immunological Disorders. J Med Chem 60:5193-5208 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C19
Name:Cytochrome P450 2C19
Synonyms:CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | 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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  Blast E-value cutoff:
BDBM50239717
n/a
NameBDBM50239717
Synonyms:CHEMBL4059848 | US10214537, Example 657
TypeSmall organic molecule
Emp. Form.C25H25F3N8O2
Mol. Mass.526.5136
SMILESCC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Structure
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