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Target
Cytochrome P450 3A4
Ligand
BDBM50220270
Substrate
n/a
Meas. Tech.
ChEMBL_458143 (CHEMBL925475)
IC50
60±n/a nM
Citation
 Li, H; Asberom, T; Bara, TA; Clader, JW; Greenlee, WJ; Josien, HB; McBriar, MD; Nomeir, A; Pissarnitski, DA; Rajagopalan, M; Xu, R; Zhao, Z; Song, L; Zhang, L Discovery of 2,4,6-trisubstituted N-arylsulfonyl piperidines as gamma-secretase inhibitors. Bioorg Med Chem Lett 17:6290-4 (2007) [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:
BDBM50220270
Synonyms:
1-((2R,6S)-1-(4-chlorophenylsulfonyl)-6-(3,5-difluorophenyl)piperidin-2-yl)cyclopropyl 4-(2-hydroxyethyl)piperazine-1-carboxylate | CHEMBL239629
Type:
Small organic molecule
Emp. Form.:
C27H32ClF2N3O5S
Mol. Mass.:
584.075
SMILES:
OCCN1CCN(CC1)C(=O)OC1(CC1)[C@H]1CCC[C@H](N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Structure:
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