Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50171280
Substrate
n/a
Meas. Tech.
ChEMBL_321468 (CHEMBL880409)
IC50
12000±n/a nM
Citation
 Vrudhula, VM; Dasgupta, B; Boissard, CG; Gribkoff, VK; Santone, KS; Dalterio, RA; Lodge, NJ; Starrett, JE Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes. Bioorg Med Chem Lett 15:4286-90 (2005) [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:
BDBM50171280
Synonyms:
4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-1-(2H-tetrazol-5-ylmethyl)-6-trifluoromethyl-1H-quinolin-2-one | CHEMBL193647
Type:
Small organic molecule
Emp. Form.:
C20H15ClF3N5O3
Mol. Mass.:
465.813
SMILES:
OCCc1c(-c2cc(Cl)ccc2O)c2cc(ccc2n(Cc2nnn[nH]2)c1=O)C(F)(F)F |(10.1,-7.54,;8.94,-6.54,;7.49,-7.08,;6,-6.68,;4.65,-7.45,;4.65,-8.99,;3.32,-9.76,;3.32,-11.32,;1.97,-12.09,;4.65,-12.09,;5.98,-11.32,;5.98,-9.76,;7.28,-9.25,;3.32,-6.68,;1.99,-7.45,;.66,-6.68,;.66,-5.14,;1.99,-4.37,;3.32,-5.14,;4.65,-4.37,;4.67,-2.83,;6.02,-2.06,;7.42,-2.68,;8.45,-1.54,;7.7,-.22,;6.19,-.52,;6,-5.14,;7.33,-4.37,;-.69,-7.47,;-2.03,-8.24,;-1.47,-6.12,;.1,-8.8,)|
Structure:
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