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Target
Cytochrome P450 3A4
Ligand
BDBM50263682
Substrate
n/a
Meas. Tech.
ChEMBL_536099 (CHEMBL995045)
IC50
>50000±n/a nM
Citation
 Jolidon, S; Alberati, D; Dowle, A; Fischer, H; Hainzl, D; Narquizian, R; Norcross, R; Pinard, E Design, synthesis and structure-activity relationship of simple bis-amides as potent inhibitors of GlyT1. Bioorg Med Chem Lett 18:5533-6 (2008) [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:
BDBM50263682
Synonyms:
4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]oxepin-11-ylmethyl)-carbamoyl]-methyl}-benzamide | CHEMBL515644
Type:
Small organic molecule
Emp. Form.:
C24H20F2N2O3
Mol. Mass.:
422.424
SMILES:
Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
Structure:
Search PDB for entries with ligand similarity: