Brief Information of the Compound and Protein
Compound Name
N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
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PubChem ID
CID: 56593478
SID: 134225242
Canonical SMILES
CN1C[C@](C)(N=C(N)C1=O)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
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Compound Formula C18H17ClFN5O2
Compound Structure
Protein Name
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
CL000475 SK-N-BE(2)-C Homo sapiens (Human)  1
1
IC50 = 28.18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 23.44 nM