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Target
Cytochrome P450 3A4
Ligand
BDBM50394804
Substrate
n/a
Meas. Tech.
ChEMBL_859942 (CHEMBL2167345)
IC50
2900±n/a nM
Citation
 Richards, S; Larson, CJ; Koltun, ES; Hanel, A; Chan, V; Nachtigall, J; Harrison, A; Aay, N; Du, H; Arcalas, A; Galan, A; Zhang, J; Zhang, W; Won, KA; Tam, D; Qian, F; Wang, T; Finn, P; Ogilvie, K; Rosen, J; Aoyama, R; Plonowski, A; Cancilla, B; Bentzien, F; Yakes, M; Mohan, R; Lamb, P; Nuss, J; Kearney, P Discovery and characterization of an inhibitor of glucosylceramide synthase. J Med Chem 55:4322-35 (2012) [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:
BDBM50394804
Synonyms:
CHEMBL2163828
Type:
Small organic molecule
Emp. Form.:
C27H29BrF3N3O3
Mol. Mass.:
580.437
SMILES:
NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1 |r,TLB:9:8:1.2.7:5.4|
Structure:
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