Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-((S)-3-((S)-1-(isobutylamino)-1-oxopropan-2-ylamino)-1-phenylpropan-2-yl)-3-(2-((1S,2S)-2-methylcyclopropyl)ethyl)-5-(N-methylmethan-5-ylsulfonamido)benzamide
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 PubChem ID
CID: 44413211
Canonical SMILES
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(CCC2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1
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Compound Formula C31H46N4O4S
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
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 20 nM