Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(3-((2S,5R)-6-Amino-2-(fluoromethyl)-5-methyl-5-(methylsulfonyl)-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-2,2,3,3-d4-7-carboxamide
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 PubChem ID
CID: 162462193
Canonical SMILES
[2H]C1([2H])Oc2cnc(C(=O)Nc3ccc(F)c([C@]4(CF)CC[C@@](C)(S(C)(=O)=O)C(N)=N4)c3)cc2OC1([2H])[2H]
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Compound Formula C22H24F2N4O5S
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
CL000151 SK-N-BE(2)
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4 nM