Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,4S,5R)-3-[[4-amino-3-fluoro-5-[(2S)-3,3,3-trifluoro-2-methoxypropyl]phenyl]methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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 PubChem ID
CID: 44624107
SID: 87551200
Canonical SMILES
CO[C@@H](Cc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(c3)C(C)(C)C)[C@H]2O)cc(F)c1N)C(F)(F)F
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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 = 410 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 78 nM