Target
Cytochrome P450 2C19
Ligand
BDBM50041457
Substrate
n/a
Meas. Tech.
ChEMBL_567200 (CHEMBL1029112)
IC50
85000±n/a nM
Citation
 O'Neill, PMShone, AEStanford, DNixon, GAsadollahy, EPark, BKMaggs, JLRoberts, PStocks, PABiagini, GBray, PGDavies, JBerry, NHall, CRimmer, KWinstanley, PAHindley, SBambal, RBDavis, CBBates, MGresham, SLBrigandi, RAGomez-de-Las-Heras, FMGargallo, DVParapini, SVivas, LLander, HTaramelli, DWard, SA Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable"back-up" compound for N-tert-butyl isoquine. J Med Chem 52:1828-44 (2009) [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:
BDBM50041457
Synonyms:
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol | AMODIAQUINE | CHEMBL682 | med.21724, Compound 188
Type:
Small organic molecule
Emp. Form.:
C20H22ClN3O
Mol. Mass.:
355.861
SMILES:
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Structure:
Search PDB for entries with ligand similarity: