Brief Information of the Compound and Protein
Compound Name
{3-((1r,1'R,4R)-2''-Amino-4-methoxy-3'H,5''H-dispiro-[cyclohexane-1,2'-indene-1',4''-oxazol]-6'-yl-5'',5''-d2)-5-chlorobenzonitrile}
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Canonical SMILES
[2H]C1([2H])OC(N)=N[C@]12c1cc(-c3cc(Cl)cc(C#N)c3)ccc1C[C@]21CC[C@@H](OC)CC1
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Compound Formula C24H24ClN3O2
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)  1
1
Ki = 18 nM
   TI
   LI
   LO
   TS
CL000004 SH-SY5Y Homo sapiens (Human)  1
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS