Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50309960
Substrate
n/a
Meas. Tech.
ChEMBL_612188 (CHEMBL1074126)
IC50
>10000±n/a nM
Citation
 Lowe, JA; Deninno, SL; Drozda, SE; Schmidt, CJ; Ward, KM; David Tingley, F; Sanner, M; Tunucci, D; Valentine, J An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. Bioorg Med Chem Lett 20:907-11 (2010) [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:
BDBM50309960
Synonyms:
(exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-trifluoromethyl, 4-fluorobenzyl)-(octahydro-cyclopenta[c]pyrrol-5-yl)-amide | CHEMBL596699
Type:
Small organic molecule
Emp. Form.:
C20H22F4N4O
Mol. Mass.:
410.4085
SMILES:
Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r|
Structure:
Search PDB for entries with ligand similarity: