Brief Information of the Compound and Protein
Compound Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(methylamino)-2-(phenylethynyl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
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PubChem ID
CID: 11068963
SID: 16137258
Canonical SMILES
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccccc1
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Compound Formula C19H19N5O4
Compound Structure
Protein Name
Adenosine receptor A3
Protein Classification
Membrane receptor
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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
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 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 290 nM
   TI
   LI
   LO
   TS
2
Ki = 3.4 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3.4 nM
   TI
   LI
   LO
   TS