Target
Cytochrome P450 3A4
Ligand
BDBM50600524
Substrate
n/a
Meas. Tech.
ChEMBL_2234463 (CHEMBL5148235)
IC50
>10000±n/a nM
Citation
 Tamura, YMorita, IHinata, YKojima, EOzasa, HIkemoto, HAsano, MWada, THayasaki-Kajiwara, YIwasaki, TMatsumura, K Identification of novel indole derivatives as highly potent AMPK activators with anti-diabetic profiles. Bioorg Med Chem Lett 68:0 (2022) [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:
BDBM50600524
Synonyms:
CHEMBL5177715
Type:
Small organic molecule
Emp. Form.:
C27H26FN3O5S
Mol. Mass.:
523.576
SMILES:
[H][C@]12OC[C@@H](Oc3cc4nc(c(F)cc4[nH]3)-c3ccc(cc3)-c3ccc(cc3)N=S(C)(C)=O)[C@@]1([H])OC[C@H]2O |r|
Structure:
Search PDB for entries with ligand similarity: