Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1R,3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxyphenyl]methyl]-5-[[3-(2-hydroxypropan-2-yl)phenyl]methylamino]-1-oxothian-4-ol
    Show/Hide
 PubChem ID
CID: 72191661
Canonical SMILES
COC[C@@H](Oc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cccc(c3)C(C)(C)O)[C@H]2O)cc(F)c1N)C(F)(F)F
    Show/Hide
Compound Formula C26H34F4N2O5S
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 = 126 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM