Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-(4-Acetylphenyl)ethynyl-N6-methyl-5'-N-methylcarboxamidoadenosine
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 PubChem ID
CID: 45482874
Canonical SMILES
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(OC)cc1
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Compound Formula C21H22N6O5
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
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
P0DMS8
Gene Name
ADORA3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 240 nM
   TI
   LI
   LO
   TS
2
Ki = 0.33 nM
   TI
   LI
   LO
   TS