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TargetCytochrome P450 2C19
LigandBDBM50448494
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1294676 (CHEMBL3128673)
EC50>40000±n/a nM
Citation Gentles, RGDing, MBender, JABergstrom, CPGrant-Young, KHewawasam, PHudyma, TMartin, SNickel, ARegueiro-Ren, ATu, YYang, ZYeung, KSZheng, XChao, SSun, JHBeno, BRCamac, DMChang, CHGao, MMorin, PESheriff, STredup, JWan, JWitmer, MRXie, DHanumegowda, UKnipe, JMosure, KSantone, KSParker, DDZhuo, XLemm, JLiu, MPelosi, LRigat, KVoss, SWang, YWang, YKColonno, RJGao, MRoberts, SBGao, QNg, AMeanwell, NAKadow, JF Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase. J Med Chem57:1855-79 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2C19
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50448494
n/a
NameBDBM50448494
Synonyms:CHEMBL3126657
TypeSmall organic molecule
Emp. Form.C34H41N5O5S
Mol. Mass.631.785
SMILESCOc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CNC2)C(=O)NS(=O)(=O)N(C)C |TLB:27:29:35.34.33:31|
Structure
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