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Target
Cytochrome P450 3A4
Ligand
BDBM50328778
Substrate
n/a
Meas. Tech.
ChEMBL_673771 (CHEMBL1274948)
IC50
4±n/a nM
Citation
 Truong, AP; Tóth, G; Probst, GD; Sealy, JM; Bowers, S; Wone, DW; Dressen, D; Hom, RK; Konradi, AW; Sham, HL; Wu, J; Peterson, BT; Ruslim, L; Bova, MP; Kholodenko, D; Motter, RN; Bard, F; Santiago, P; Ni, H; Chian, D; Soriano, F; Cole, T; Brigham, EF; Wong, K; Zmolek, W; Goldbach, E; Samant, B; Chen, L; Zhang, H; Nakamura, DF; Quinn, KP; Yednock, TA; Sauer, JM Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. Bioorg Med Chem Lett 20:6231-6 (2010) [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:
BDBM50328778
Synonyms:
CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2-methylpropan-2-yl)phenyl)cyclopropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C25H30F4N2O2
Mol. Mass.:
466.5115
SMILES:
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r|
Structure:
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