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Target
Cytochrome P450 3A4
Ligand
BDBM50226489
Substrate
n/a
Meas. Tech.
ChEMBL_461436 (CHEMBL928536)
IC50
4200±n/a nM
Citation
 McBriar, MD; Clader, JW; Chu, I; Del Vecchio, RA; Favreau, L; Greenlee, WJ; Hyde, LA; Nomeir, AA; Parker, EM; Pissarnitski, DA; Song, L; Zhang, L; Zhao, Z Discovery of amide and heteroaryl isosteres as carbamate replacements in a series of orally active gamma-secretase inhibitors. Bioorg Med Chem Lett 18:215-9 (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:
BDBM50226489
Synonyms:
2-(1-((2R,6R)-1-(4-chlorophenylsulfonyl)-6-ethylpiperidin-2-yl)cyclopropyl)-1-((S)-hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)ethanone | CHEMBL252209
Type:
Small organic molecule
Emp. Form.:
C26H38ClN3O3S
Mol. Mass.:
508.116
SMILES:
CC[C@@H]1CCC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC(=O)N2CCN3CCCC[C@H]3C2)CC1
Structure:
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