Brief Information of the Compound and Protein
Compound Name
(4S,6S)-4-[3-chloro-5-(5-prop-1-ynylpyridin-3-yl)thiophen-2-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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PubChem ID
CID: 90253342
Canonical SMILES
CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C
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Compound Formula C22H21ClN4OS2
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
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS