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Target
Cytochrome P450 3A4
Ligand
BDBM50545826
Substrate
n/a
Meas. Tech.
ChEMBL_1996656 (CHEMBL4630551)
IC50
34000±n/a nM
Citation
 Mandal, M; Buevich, A; Caldwell, JP; Hyde, L; Huang, X; Liu, X; McKittrick, B; Mazzola, RD; Pissarnitski, D; Palani, A; Zhang, L; Parker, E; Xiao, L; Rindgen, D; Zhu, Z Generation of Leads for ?-Secretase Modulation. J Med Chem 63:8216-8230 (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:
BDBM50545826
Synonyms:
CHEMBL4634696
Type:
Small organic molecule
Emp. Form.:
C25H23F3N4O2
Mol. Mass.:
468.4709
SMILES:
COc1cc(ccc1-n1cnc(C)c1)C1=CC2=NO[C@@H](CN2CCC1)c1cc(F)c(F)c(F)c1 |r,t:16,18|
Structure:
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