Brief Information of the Compound and Protein
Compound Name
5-(1-benzyl-1H-1,2,3-triazol-4-yl)-N1-((2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl)-N3-((R)-1-phenylethyl)isophthalamide
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PubChem ID
CID: 44570210
Canonical SMILES
C[C@@H](NC(=O)c1cc(cc(c1)-c1cn(Cc2ccccc2)nn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
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Compound Formula C38H40N6O3
Compound Structure
Protein Name
Beta-secretase 1
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
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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
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1256 nM
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