Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,4R)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-4-methoxy-1-phenylpyrrolidine-2-carboxamide
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 PubChem ID
CID: 24772627
SID: 49694630
Canonical SMILES
CO[C@@H]1C[C@H](N(C1)c1ccccc1)C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
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Compound Formula C22H25Cl2N5O3
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)  2
1
Ki = 78 nM
   TI
   LI
   LO
   TS
2
Ki = 390 nM
   TI
   LI
   LO
   TS