Reaction Details Report a problem with these data
Target
Cytochrome P450 2C19
Ligand
BDBM50019933
Substrate
n/a
Meas. Tech.
ChEMBL_1362556 (CHEMBL3293585)
IC50
18000±n/a nM
Citation
 Kedari, CK; Roy Choudhury, N; Sharma, S; Kaur, P; Guptha, S; Panda, M; Mukerjee, K; Ramachandran, V; Bandodkar, B; Ramachandran, S; Tantry, SJ Biarylmethoxy Nicotinamides As Novel and Specific Inhibitors of Mycobacterium tuberculosis. ACS Med Chem Lett 5:491-5 (2014) [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:
BDBM50019933
Synonyms:
CHEMBL3287238
Type:
Small organic molecule
Emp. Form.:
C20H18ClFN4O3
Mol. Mass.:
416.833
SMILES:
NC(=O)c1cccnc1OCc1ncc(cn1)-c1ccc(OCCCF)cc1Cl
Structure:
Search PDB for entries with ligand similarity: