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TargetCytochrome P450 2C19
LigandBDBM50437044
Substrate/Competitorn/a
Meas. Tech.ChEMBL_971933
IC50 1200±n/a nM
Citation Beaulieu PLCoulombe RDuan JFazal GGodbout CHucke OJakalian AJoly MALepage OLlinàs-Brunet MNaud JPoirier MRioux NThavonekham BKukolj GStammers TA Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype. Bioorg Med Chem Lett 23:4132-40 (2013) [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:
BDBM50437044
n/a
NameBDBM50437044
Synonyms:CHEMBL2403314
TypeSmall organic molecule
Emp. Form.C21H11F6N3O2
Mol. Mass.451.3214
SMILESFc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccnc4C(F)(F)F)ccc23)c(F)c1
Structure
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