Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50535769
Substrate
n/a
Meas. Tech.
ChEMBL_1931354 (CHEMBL4434605)
IC50
43±n/a nM
Citation
 Zhao, S; Zhao, L; Zhang, X; Wei, P; Wu, M; Su, X; Sun, B; Zhao, D; Cheng, M Design, synthesis and evaluation of biphenyl imidazole analogues as potent antifungal agents. Bioorg Med Chem Lett 29:2448-2451 (2019) [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:
BDBM50535769
Synonyms:
CHEMBL4514676
Type:
Small organic molecule
Emp. Form.:
C22H22FN3O3
Mol. Mass.:
395.4268
SMILES:
CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1ccc(cc1F)-c1ccccc1 |r|
Structure:
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