Brief Information of the Compound and Protein
Compound Name
(2S)-N-[N'-[[3,5-dichloro-4-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]carbamimidoyl]-1-(4-methoxyphenyl)pyrrolidine-2-carboxamide
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PubChem ID
CID: 24772625
SID: 49694628
Canonical SMILES
COc1ccc(cc1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(=O)CN(C)C)c(Cl)c1
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Compound Formula C24H30Cl2N6O3
Compound Structure
Protein Name
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 Homo sapiens (Human)  2
1
EC50 = 420 nM
   TI
   LI
   LO
   TS
2
Ki = 140 nM
   TI
   LI
   LO
   TS