Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3R,4S,5S)-3-[(3-tert-butylphenyl)methylamino]-1,1-dioxo-5-[(4',4',7-trifluorospiro[1,2-dihydroindole-3,1'-cyclohexane]-5-yl)methyl]thian-4-ol
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 PubChem ID
CID: 57387070
SID: 136917071
Canonical SMILES
CC(C)(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3cc4c(NCC44CCC(F)(F)CC4)c(F)c3)[C@@H]2O)c1
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Compound Formula C30H39F3N2O3S
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 = 3530 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 140 nM