Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[(2S,3R)-3-amino-1-(3,5-difluorophenyl)-4-fluorobutan-2-yl]-2-[methyl-[[(1S,2S)-2-methylcyclopropyl]methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
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 PubChem ID
CID: 44426299
Canonical SMILES
CC(C)S(=O)(=O)N(C)c1cc(cc(n1)N(C)C[C@H]1C[C@@H]1C)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@@H](N)CF
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Compound Formula C26H36F3N5O3S
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 = 910 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18 nM