Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C19
LigandBDBM50311762
Substrate/Competitorn/a
Meas. Tech.ChEMBL_619262
IC50 40000±n/a nM
Citation Panchal, TBailey, NBamford, MDemont, EElliott, RFarre-Gutierrez, IGarton, NHayhow, THutley, GNaylor, A Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs). Bioorg Med Chem Lett19:6813-7 (2009) [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:
BDBM50311762
NameBDBM50311762
Synonyms:1-(7-(2,6-dimethylbenzylamino)-1-(2-hydroxyethyl)-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-5-yl)pyridin-2(1H)-one | CHEMBL1080803
TypeSmall organic molecule
Emp. Form.C25H28N4O2
Mol. Mass.416.5154
SMILESCc1c(C)c2cc(nc(NCc3c(C)cccc3C)c2n1CCO)-n1ccccc1=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a