Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3S,4R,5R)-2-(methylsulfanylmethyl)-5-[6-[[(1S,5S,6S)-3-thiatricyclo[3.2.1.02,4]octan-6-yl]amino]purin-9-yl]oxolane-3,4-diol
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 PubChem ID
CID: 44452508
Canonical SMILES
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12
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Compound Formula C18H23N5O3S2
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P30542
Gene Name
ADORA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000331 DDT1-MF2
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  2
1
IC50 = 0.9 nM
   TI
   LI
   LO
   TS
2
Ki = 5 nM
   TI
   LI
   LO
   TS