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Target
Cytochrome P450 3A4
Ligand
BDBM50205151
Substrate
n/a
Meas. Tech.
ChEMBL_1628093 (CHEMBL3870678)
IC50
4300±n/a nM
Citation
 Zhao, Z; Pissarnitski, DA; Josien, HB; Bara, TA; Clader, JW; Li, H; McBriar, MD; Rajagopalan, M; Xu, R; Terracina, G; Hyde, L; Song, L; Zhang, L; Parker, EM; Osterman, R; Buevich, AV Substituted 4-morpholine N-arylsulfonamides as¿-secretase inhibitors. Eur J Med Chem 124:36-48 (2016) [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:
BDBM50205151
Synonyms:
CHEMBL3979311
Type:
Small organic molecule
Emp. Form.:
C26H34ClN3O5S
Mol. Mass.:
536.083
SMILES:
CC(=O)N1C2CCC1CN(C2)C(=O)CC1(CC1)[C@H]1COC[C@@H](C2CC2)N1S(=O)(=O)c1ccc(Cl)cc1 |r,TLB:1:3:9.10.8:5.6,THB:11:9:3:5.6|
Structure:
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