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Target
Cytochrome P450 3A4
Ligand
BDBM50005005
Substrate
n/a
Meas. Tech.
ChEMBL_966467 (CHEMBL2399055)
IC50
>30000±n/a nM
Citation
 Décor, A; Grand-Maître, C; Hucke, O; O'Meara, J; Kuhn, C; Constantineau-Forget, L; Brochu, C; Malenfant, E; Bertrand-Laperle, M; Bordeleau, J; Ghiro, E; Pesant, M; Fazal, G; Gorys, V; Little, M; Boucher, C; Bordeleau, S; Turcotte, P; Guo, T; Garneau, M; Spickler, C; Gauthier, A Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human rhinovirus. Bioorg Med Chem Lett 23:3841-7 (2013) [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:
BDBM50005005
Synonyms:
CHEMBL2397317
Type:
Small organic molecule
Emp. Form.:
C22H29N5O3
Mol. Mass.:
411.4974
SMILES:
COc1ccc(cc1OC)-c1c(C)nn2c(NCCN3CCOCC3)cc(C)nc12
Structure:
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