Brief Information of the Compound and Protein
Compound Name
 Compound Info 
5-[(4aR,7aR)-2-amino-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile
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 PubChem ID
CID: 44247586
SID: 85281281
Canonical SMILES
COc1nc(nc(C)c1F)N1C[C@H]2C(=O)N(C)C(=N)N[C@]2(C1)c1ccc(s1)C#N
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Compound Formula C18H18FN7O2S
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 = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 15 nM