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Target
Cytochrome P450 3A4
Ligand
BDBM134359
Substrate
n/a
Meas. Tech.
ChEMBL_2170798 (CHEMBL5055932)
IC50
8000±n/a nM
Citation
 Rueeger, H; Lueoend, R; Machauer, R; Veenstra, SJ; Holzer, P; Hurth, K; Voegtle, M; Frederiksen, M; Rondeau, JM; Tintelnot-Blomley, M; Jacobson, LH; Staufenbiel, M; Laue, G; Neumann, U Synthesis of the Potent, Selective, and Efficacious ?-Secretase (BACE1) Inhibitor NB-360. J Med Chem 64:4677-4696 (2021) [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:
BDBM134359
Synonyms:
US8846658, 71
Type:
Small organic molecule
Emp. Form.:
C18H16BrF4N5O2
Mol. Mass.:
490.25
SMILES:
C[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(NC(=O)c2ncc(Br)cn2)ccc1F |r,c:7|
Structure:
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