Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-(2-{5-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-methylsulfanyl-butyrylamino]-4-hydroxy-2-isopropyl-7-methyl-octanoylamino}-propionylamino)-4-(1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid(Ac-Val-Met-Hydroxyethylene-Ala-Glu-Phe-COOH)
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 PubChem ID
CID: 44322208
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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Compound Formula C41H66N6O11S
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
CL000028 PC-12
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 20 nM
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