Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[2H]-(1R,3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(1R)-2,2,2-trifluoro-1-(methoxymethyl)ethoxy]phenyl]methyl]-5-[[(3-tert-butylphenyl)-dideuterio-methyl]amino]-1-oxido-tetrahydrothiopyran-1-ium-4-ol
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 PubChem ID
CID: 72191343
Canonical SMILES
[2H]C([2H])(N[C@H]1C[S@+]([O-])C[C@@H](Cc2cc(F)c(N)c(O[C@H](COC)C(F)(F)F)c2)[C@@H]1O)c1cccc(C(C)(C)C)c1
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Compound Formula C27H36F4N2O4S
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 = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM