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TargetCytochrome P450 2C19
LigandBDBM50041691
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1446306
IC50>50000±n/a nM
Citation Buzard, DJKim, SHLopez, LKawasaki, AZhu, XMoody, JThoresen, LCalderon, IUllman, BHan, SLehmann, JGharbaoui, TSengupta, DCalvano, LMontalban, AGMa, YASage, CGao, YSemple, GEdwards, JBarden, JMorgan, MChen, WUsmani, KChen, CSadeque, AChristopher, RJThatte, JFu, LSolomon, MMills, DWhelan, KAl-Shamma, HGatlin, JLe, MGaidarov, IAnthony, TUnett, DJBlackburn, ARueter, JStirn, SBehan, DPJones, RM Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett5:1313-7 (2014) [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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50041691
NameBDBM50041691
Synonyms:CHEMBL3358920
TypeSmall organic molecule
Emp. Form.C26H26F3NO3
Mol. Mass.457.4847
SMILESOC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21 |r|
Structure
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