Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50436480
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:
BDBM50436480
Synonyms:
CHEMBL2397306
Type:
Small organic molecule
Emp. Form.:
C18H22N4O3S
Mol. Mass.:
374.457
SMILES:
CC(C)[C@@H]1COC(=O)N1CC(=O)Nc1nc(C)c(s1)-c1ccc(N)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: