Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-(1-hydroxyethyl)-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
    Show/Hide
 PubChem ID
CID: 45271468
Canonical SMILES
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(=O)N[C@H](C)c2ccccc2)C(C)O)c1
    Show/Hide
Compound Formula C36H39F2N3O5
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 = 92 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 29 nM