Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4aR,7aR)-2-amino-6-(3-fluorobenzoyl)-3-methyl-7a-[4-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
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 PubChem ID
CID: 71459034
SID: 163474733
Canonical SMILES
CC#Cc1cncc(c1)-c1csc(c1)[C@]12CN(C[C@H]1C(=O)N(C)C(N)=N2)C(=O)c1cccc(F)c1
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Compound Formula C26H22FN5O2S
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 = 8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1 nM