Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2C19
LigandBDBM50440355
Substrate/Competitorn/a
Meas. Tech.ChEMBL_983547 (CHEMBL2429617)
IC50>10000±n/a nM
Citation Grädler, UBomke, JMusil, DDresing, VLehmann, MHölzemann, GGreiner, HEsdar, CKrier, MHeinrich, T Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg Med Chem Lett23:5401-9 (2013) [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:
BDBM50440355
n/a
NameBDBM50440355
Synonyms:CHEMBL2425159
TypeSmall organic molecule
Emp. Form.C27H30N6O3
Mol. Mass.486.5655
SMILESCOc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: