Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-5-{(S)-2-[(S)-2-((S)-2-Amino-4-carboxy-butyrylamino)-3-methyl-butyrylamino]-3-(S)-carbamoyl-1-(S)-oxo-propylamino}-6-cyclohexyl-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-hexanoic acid(R)-4-((R)-2-Amino-propionylamino)-4-((R)-1-carboxy-2-phenyl-ethylcarbamoyl)-butyric acid
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 PubChem ID
CID: 10147942
SID: 15139004
Canonical SMILES
CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O)C(C)(C)O
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Compound Formula C46H72N8O15
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 = 49 nM
   TI
   LI
   LO
   TS