Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM165918
Substrate
n/a
Meas. Tech.
ELISA Assay
IC50
53±n/a nM
Citation
 Hilpert, H; Rogers-Evans, M; Rombach, D 1,4 thiazepines/sulfones as BACE1 and/or BACE2 inhibitors US Patent  US9067924 Publication Date 6/30/2015 
Target
Name:
Beta-secretase 1
Synonyms:
BACE1_MOUSE | Bace | Bace1 | Beta-secretase 1 | Beta-secretase 1 (BACE1)
Type:
Enzyme
Mol. Mass.:
55739.56
Organism:
Mus musculus (Mouse)
Description:
P56818
Residue:
501
Sequence:
MAPALHWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEESEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRHQHDDFADDISLLK
  
Inhibitor
Name:
BDBM165918
Synonyms:
US9067924, 12
Type:
Small organic molecule
Emp. Form.:
C21H22FN5O3S
Mol. Mass.:
443.494
SMILES:
CC1(C)C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F |r,c:4|
Structure:
Search PDB for entries with ligand similarity: