Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-N-[(2S)-4-[(1-benzylpiperidin-4-yl)amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
    Show/Hide
 PubChem ID
CID: 44590655
Canonical SMILES
C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(=O)NC1CCN(Cc2ccccc2)CC1)N(C)S(C)(=O)=O)c1ccccc1
    Show/Hide
Compound Formula C40H47N5O6S
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 < 1000 nM
   TI
   LI
   LO
   TS