Brief Information of the Compound and Protein
Compound Name
 Compound Info 
6-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-8-N-[(1R)-1-phenylethyl]-2,3,4,5-tetrahydro-1-benzoxepine-6,8-dicarboxamide
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 PubChem ID
CID: 44570303
Canonical SMILES
C[C@@H](NC(=O)c1cc2OCCCCc2c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC1)c1ccccc1
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Compound Formula C33H39N3O4
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
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 89 nM
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