Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50386880
Substrate
n/a
Meas. Tech.
ChEMBL_827409 (CHEMBL2051079)
IC50
76000±n/a nM
Citation
 Ohtake, Y; Sato, T; Matsuoka, H; Kobayashi, T; Nishimoto, M; Taka, N; Takano, K; Yamamoto, K; Ohmori, M; Higuchi, T; Murakata, M; Morikawa, K; Shimma, N; Suzuki, M; Hagita, H; Ozawa, K; Yamaguchi, K; Kato, M; Ikeda, S C-Aryl 5a-carba-ß-d-glucopyranosides as novel sodium glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes. Bioorg Med Chem 20:4117-27 (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:
BDBM50386880
Synonyms:
CHEMBL2048487
Type:
Small organic molecule
Emp. Form.:
C23H28O4
Mol. Mass.:
368.466
SMILES:
OC[C@H]1C[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2ccc(cc2)C2CC2)c1 |r|
Structure:
Search PDB for entries with ligand similarity: