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TargetCytochrome P450 2C19
LigandBDBM50183448
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1586834
IC50>50000±n/a nM
Citation Martin LJKoegl MBader GCockcroft XLFedorov OFiegen DGerstberger THofmann MHHohmann AFKessler DKnapp SKnesl PKornigg SMüller SNar HRogers CRumpel KSchaaf OSteurer STallant CVakoc CRZeeb MZoephel APearson MBoehmelt GMcConnell D Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem 59:4462-75 (2016) [PubMed]
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:
BDBM50183448
n/a
NameBDBM50183448
Synonyms:CHEMBL3823478
TypeSmall organic molecule
Emp. Form.C20H23N3O3
Mol. Mass.353.4149
SMILESCOc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12
Structure
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