Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-5-[(3-ethyl-1H-indol-5-yl)methyl]-1,1-dioxothian-4-ol
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 PubChem ID
CID: 57387069
SID: 136917070
Canonical SMILES
CCc1c[nH]c2ccc(C[C@@H]3CS(=O)(=O)C[C@H](NCc4cccc(c4)C(C)(C)C)[C@H]3O)cc12
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Compound Formula C27H36N2O3S
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 = 740 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 200 nM