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Target
Beta-secretase 1
Ligand
BDBM50510788
Substrate
n/a
Meas. Tech.
ChEMBL_1842173 (CHEMBL4342600)
IC50
8.0±n/a nM
Citation
 Hsiao, CC; Rombouts, F; Gijsen, HJM New evolutions in the BACE1 inhibitor field from 2014 to 2018. Bioorg Med Chem Lett 29:761-777 (2019) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE1_RAT | Bace | Bace1 | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-2 | Membrane-associated aspartic protease 2
Type:
PROTEIN
Mol. Mass.:
55799.17
Organism:
Rattus norvegicus
Description:
ChEMBL_108314
Residue:
501
Sequence:
MAPALRWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKSVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRHQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50510788
Synonyms:
CHEMBL4576365
Type:
Small organic molecule
Emp. Form.:
C18H17F2N5O2S
Mol. Mass.:
405.422
SMILES:
[H][C@]12CSC(N)=N[C@]1(CCO2)c1cccc(NC(=O)c2cnc(cn2)C(F)F)c1 |r,c:5|
Structure:
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