Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C19
LigandBDBM50158467
Substrate/Competitorn/a
Meas. Tech.ChEMBL_430467
Ki 1600±n/a nM
Citation Locuson, CWSuzuki, HRettie, AEJones, JP Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors. J Med Chem47:6768-76 (2004) [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:
BDBM50158467
NameBDBM50158467
Synonyms:2-(3,5-dibromo-4-hydroxyphenyl)-1-(2-ethylbenzofuran-3-yl)ethanone | CHEMBL390548
TypeSmall organic molecule
Emp. Form.C18H14Br2O3
Mol. Mass.438.11
SMILESCCc1oc2ccccc2c1C(=O)Cc1cc(Br)c(O)c(Br)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a