Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[3-[(1S,5S,6S)-3-amino-1-(difluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
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 PubChem ID
CID: 118866986
Canonical SMILES
C[C@@]1(N=C(N)S[C@]2(C[C@@H]12)C(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)cc(F)c1F
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Compound Formula C21H17F4N5O2S
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 = 0.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2 nM