Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-N-((2S,3R)-4-(3-ethylbenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-2-acetamido-3-(butylsulfonyl)propanamide
    Show/Hide
 PubChem ID
CID: 10144519
SID: 15135702
Canonical SMILES
CCCCS(=O)(=O)C[C@@H](NC(C)=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(CC)c1
    Show/Hide
Compound Formula C28H39F2N3O5S
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
EC50 = 6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM