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Target
Cytochrome P450 3A4
Ligand
BDBM50392111
Substrate
n/a
Meas. Tech.
ChEMBL_851458 (CHEMBL2156464)
IC50
>10000±n/a nM
Citation
 Suzuki, T; Khan, MN; Sawada, H; Imai, E; Itoh, Y; Yamatsuta, K; Tokuda, N; Takeuchi, J; Seko, T; Nakagawa, H; Miyata, N Design, synthesis, and biological activity of a novel series of human sirtuin-2-selective inhibitors. J Med Chem 55:5760-73 (2012) [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:
BDBM50392111
Synonyms:
CHEMBL2152613
Type:
Small organic molecule
Emp. Form.:
C21H20N2O2
Mol. Mass.:
332.3957
SMILES:
NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: