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Target
Cytochrome P450 3A4
Ligand
BDBM50549046
Substrate
n/a
Meas. Tech.
ChEMBL_2023733 (CHEMBL4677546)
IC50
>10000±n/a nM
Citation
 Martínez-Viturro, CM; Trabanco, AA; Royes, J; Fernández, E; Tresadern, G; Vega, JA; Del Cerro, A; Delgado, F; García Molina, A; Tovar, F; Shaffer, P; Ebneth, A; Bretteville, A; Mertens, L; Somers, M; Alonso, JM; Bartolomé-Nebreda, JM Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J Med Chem 63:14017-14044 (2020) [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:
BDBM50549046
Synonyms:
CHEMBL4741417
Type:
Small organic molecule
Emp. Form.:
C23H27N5OS
Mol. Mass.:
421.558
SMILES:
CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
Structure:
Search PDB for entries with ligand similarity: