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Target
Cytochrome P450 2C19
Ligand
BDBM50156457
Substrate
n/a
Meas. Tech.
ChEMBL_306771 (CHEMBL831868)
IC50
2190±n/a nM
Citation
 Vaz, RJ; Gao, Z; Pribish, J; Chen, X; Levell, J; Davis, L; Albert, E; Brollo, M; Ugolini, A; Cramer, DM; Cairns, J; Sides, K; Liu, F; Kwong, J; Kang, J; Rebello, S; Elliot, M; Lim, H; Chellaraj, V; Singleton, RW; Li, Y Design of bivalent ligands using hydrogen bond linkers: synthesis and evaluation of inhibitors for human beta-tryptase. Bioorg Med Chem Lett 14:6053-6 (2004) [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:
BDBM50156457
Synonyms:
CHEMBL186730 | [4-(5-Aminomethyl-2-fluoro-phenyl)-piperidin-1-yl]-[3-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-phenyl]-methanone
Type:
Small organic molecule
Emp. Form.:
C25H23FN4O2S
Mol. Mass.:
462.539
SMILES:
NCc1ccc(F)c(c1)C1CCN(CC1)C(=O)c1cccc(c1)-c1nc(no1)-c1cccs1
Structure:
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