Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[(2S,3R)-4-[[1-(3-tert-butyl-5-methoxyphenyl)cyclohexyl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
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 PubChem ID
CID: 52948018
Canonical SMILES
COc1cc(cc(c1)C1(CCCCC1)NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)C(C)(C)C
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Compound Formula C29H40F2N2O3
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
ED50 = 68 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 77 nM