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Target
Cytochrome P450 3A4
Ligand
BDBM50347939
Substrate
n/a
Meas. Tech.
ChEMBL_755921 (CHEMBL1803730)
IC50
>8900±n/a nM
Citation
 Wu, T; Nagle, A; Kuhen, K; Gagaring, K; Borboa, R; Francek, C; Chen, Z; Plouffe, D; Goh, A; Lakshminarayana, SB; Wu, J; Ang, HQ; Zeng, P; Kang, ML; Tan, W; Tan, M; Ye, N; Lin, X; Caldwell, C; Ek, J; Skolnik, S; Liu, F; Wang, J; Chang, J; Li, C; Hollenbeck, T; Tuntland, T; Isbell, J; Fischli, C; Brun, R; Rottmann, M; Dartois, V; Keller, T; Diagana, T; Winzeler, E; Glynne, R; Tully, DC; Chatterjee, AK Imidazolopiperazines: hit to lead optimization of new antimalarial agents. J Med Chem 54:5116-30 (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:
BDBM50347939
Synonyms:
CHEMBL1800137
Type:
Small organic molecule
Emp. Form.:
C22H23F2N5O
Mol. Mass.:
411.4477
SMILES:
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)cc1)-c1ccc(F)cc1
Structure:
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