Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2R,3S,4R,5S)-4-(6-(3-(3-hydroxyprop-1-ynyl)benzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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 PubChem ID
CID: 71449066
Canonical SMILES
CNC(=O)[C@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(c3)C#CCO)nc(Cl)nc12
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Compound Formula C23H23ClN6O4
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P28647
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)  1
1
Ki = 1.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.6 nM