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Target
Cytochrome P450 3A4
Ligand
BDBM50335917
Substrate
n/a
Meas. Tech.
ChEMBL_717286 (CHEMBL1669909)
IC50
99500±n/a nM
Citation
 Tezuka, Y; Morikawa, K; Li, F; Auw, L; Awale, S; Nobukawa, T; Kadota, S Cytochrome P450 3A4 inhibitory constituents of the wood of Taxus yunnanensis. J Nat Prod 74:102-5 (2011) [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:
BDBM50335917
Synonyms:
(3S,4R)-4'-hydroxy-6,3'-dimethoxyisoflavan-4-ol | CHEMBL1668108
Type:
Small organic molecule
Emp. Form.:
C16H16O4
Mol. Mass.:
272.2958
SMILES:
COc1cc(ccc1O)[C@H]1COc2ccccc2[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: