Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-1-((S)-2-((S)-2-(3-(benzamido)-5-(N-methylmethan-5-ylsulfonamido)benzamido)-3-phenylpropylamino)propanoyl)pyrrolidine-2-carboxylic acid
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 PubChem ID
CID: 44413194
Canonical SMILES
C[C@H](NC[C@H](Cc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)C(=O)N1CCC[C@H]1C(=O)O
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Compound Formula C35H42FN5O7S
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 > 20000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17200 nM