Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50266763
Substrate
n/a
Meas. Tech.
ChEMBL_1701329 (CHEMBL4052311)
IC50
>100000±n/a nM
Citation
 Thompson, AM; O'Connor, PD; Marshall, AJ; Yardley, V; Maes, L; Gupta, S; Launay, D; Braillard, S; Chatelain, E; Franzblau, SG; Wan, B; Wang, Y; Ma, Z; Cooper, CB; Denny, WA 7-Substituted 2-Nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazines: Novel Antitubercular Agents Lead to a New Preclinical Candidate for Visceral Leishmaniasis. J Med Chem 60:4212-4233 (2017) [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:
BDBM50266763
Synonyms:
CHEMBL4069220
Type:
Small organic molecule
Emp. Form.:
C18H15FN4O4
Mol. Mass.:
370.3345
SMILES:
[O-][N+](=O)c1cn2CC[C@H](COc3ccc(nc3)-c3ccc(F)cc3)Oc2n1 |r|
Structure:
Search PDB for entries with ligand similarity: