Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,5S,6S)-5-[5-[(E)-2-(5-chloropyridin-2-yl)ethenyl]-2-fluorophenyl]-5-(fluoromethyl)-1-(methoxymethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-3-amine
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Canonical SMILES
COC[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(\C=C\c2ccc(Cl)cn2)ccc1F
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Compound Formula C21H20ClF2N3OS
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)  1
1
IC50 = 2200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 940 nM