Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-(1,1-dioxothiazinan-2-yl)-5-[(Z)-C-methyl-N-(2-methylpropoxy)carbonimidoyl]benzamide
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 PubChem ID
CID: 45270652
Canonical SMILES
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(cc(c2)C(\C)=N/OCC(C)C)N2CCCCS2(=O)=O)c1
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Compound Formula C35H44F2N4O6S
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 = 2098 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 428 nM