Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,4S,5R)-3-[(6-aminopyridin-3-yl)methyl]-5-[(3-tert-butylphenyl)methylamino]-1,1-dioxothian-4-ol
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 PubChem ID
CID: 57385530
SID: 136915442
Canonical SMILES
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(N)nc3)[C@@H]2O)c1
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Compound Formula C22H31N3O3S
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 = 1360 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1620 nM