Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(6S,21E)-9-amino-14,30-dichloro-24-oxa-2,8,10,16,19-pentazatetracyclo[23.2.2.212,15.02,6]hentriaconta-1(27),9,12,14,21,25,28,30-octaene-7,17-dione
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 PubChem ID
CID: 122193184
Canonical SMILES
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2
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Compound Formula C25H28Cl2N6O3
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 = 880 nM
   TI
   LI
   LO
   TS
2
Ki = 220 nM
   TI
   LI
   LO
   TS
3
Ki = 1500 nM
   TI
   LI
   LO
   TS