Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[(1S,2R)-1-benzyl-3-(cyclopropylamino)-2-hydroxypropyl]-N'[(1R)-1-(4-fluorophenyl)ethyl]-5-(methylsulfonyl)amino]isophthalamide
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 PubChem ID
CID: 44421347
Canonical SMILES
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)C(O)CNC2CC2)c1)c1ccc(F)cc1
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Compound Formula C30H35FN4O5S
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 = 1180 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 63 nM