Target
Cytochrome P450 2C19
Ligand
BDBM78577
Substrate
n/a
Meas. Tech.
ChEMBL_1487307 (CHEMBL3534774)
IC50
<100±n/a nM
Citation
 Lee, CAJones, JPKatayama, JKaspera, RJiang, YFreiwald, SSmith, EWalker, GSTotah, RA Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity. Drug Metab Dispos 40:943-51 (2012) [PubMed]  Article 
Target
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:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM78577
Synonyms:
BEPRIDIL HYDROCHLORIDE | Bepridil | MLS000028456 | N-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)aniline;hydrochloride | N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline;hydrochloride | N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride | SMR000058419 | benzyl-(3-isobutoxy-2-pyrrolidino-propyl)-phenyl-amine;hydrochloride | cid_50088
Type:
Small organic molecule
Emp. Form.:
C24H34N2O
Mol. Mass.:
366.5396
SMILES:
CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
Structure:
Search PDB for entries with ligand similarity: