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Target
Cytochrome P450 3A4
Ligand
BDBM50233758
Substrate
n/a
Meas. Tech.
ChEMBL_462442 (CHEMBL928307)
IC50
860±n/a nM
Citation
 London, C; Hoyt, SB; Parsons, WH; Williams, BS; Warren, VA; Tschirret-Guth, R; Smith, MM; Priest, BT; McGowan, E; Martin, WJ; Lyons, KA; Li, X; Karanam, BV; Jochnowitz, N; Garcia, ML; Felix, JP; Dean, B; Abbadie, C; Kaczorowski, GJ; Duffy, JL Imidazopyridines: a novel class of hNav1.7 channel blockers. Bioorg Med Chem Lett 18:1696-701 (2008) [PubMed]  Article 
Target
Name:
Cytochrome P450 3A4
Synonyms:
Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:
Enzyme
Mol. Mass.:
57349.57
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50233758
Synonyms:
CHEMBL253883 | tert-butyl (R)-1-((3-(1-cyclopropylethyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-1-oxo-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C27H32F3N5O3
Mol. Mass.:
531.5699
SMILES:
CC(C1CC1)n1c(CNC(=O)[C@@H](Cc2ccccc2C(F)(F)F)NC(=O)OC(C)(C)C)nc2cccnc12
Structure:
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