Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-(4-methoxyphenyl)pyrrolidine-2-carboxamide
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 PubChem ID
CID: 24772624
SID: 49694627
Canonical SMILES
COc1ccc(cc1)N1CCC[C@H]1C(=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)  3
1
EC50 = 520 nM
   TI
   LI
   LO
   TS
2
Ki = 110 nM
   TI
   LI
   LO
   TS
3
Ki = 300 nM
   TI
   LI
   LO
   TS