Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,4S,5R)-3-[(4-amino-3-bromo-5-fluorophenyl)methyl]-5-[[3-(1,1-difluoroethyl)phenyl]methylamino]-1,1-dioxothian-4-ol
    Show/Hide
 PubChem ID
CID: 57386813
SID: 136916799
Canonical SMILES
CC(F)(F)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc(F)c(N)c(Br)c3)[C@@H]2O)c1
    Show/Hide
Compound Formula C21H24BrF3N2O3S
Compound Structure
Protein Name
 Protein Info 
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A1A subfamily
Uniprot ID
P56817
Gene Name
BACE1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4980 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1370 nM