Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[(3R)-3-acetamido-3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide
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 PubChem ID
CID: 57402628
Canonical SMILES
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@@](CC3CC3)(NC(C)=O)C2=O)c1
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Compound Formula C38H46F2N4O5
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM