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Target
Cytochrome P450 3A4
Ligand
BDBM50356066
Substrate
n/a
Meas. Tech.
ChEMBL_775863 (CHEMBL1912404)
IC50
12000±n/a nM
Citation
 Koltun, E; Richards, S; Chan, V; Nachtigall, J; Du, H; Noson, K; Galan, A; Aay, N; Hanel, A; Harrison, A; Zhang, J; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Mohan, R; Larson, C; Lamb, P; Nuss, J; Kearney, P Discovery of a new class of glucosylceramide synthase inhibitors. Bioorg Med Chem Lett 21:6773-7 (2011) [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:
BDBM50356066
Synonyms:
CHEMBL1911827
Type:
Small organic molecule
Emp. Form.:
C28H28ClF3N4O4
Mol. Mass.:
576.995
SMILES:
CN[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F |r|
Structure:
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