Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50606047
Substrate
n/a
Meas. Tech.
ChEMBL_2253558 (CHEMBL5167768)
IC50
>10000±n/a nM
Citation
 Huang, J; Zhang, J; Luo, B; Qiao, W; Qiu, Z; Song, R; Dai, Z; Sui, J; Xu, X; Ruan, S; Li, C; Luo, Y; Yang, T Discovery of a Novel Series of Imipridone Compounds as  J Med Chem 65:7629-7655 (2022) [PubMed] 
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:
BDBM50606047
Synonyms:
CHEMBL5191392
Type:
Small organic molecule
Emp. Form.:
C23H22BrFN4O
Mol. Mass.:
469.349
SMILES:
Fc1ccc(CN2CCn3c2nc(=O)c2CN(Cc4ccccc4)CCc32)cc1Br
Structure:
Search PDB for entries with ligand similarity: