Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)-3-(aminomethyl)-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide
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 PubChem ID
CID: 44410479
Canonical SMILES
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
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Compound Formula C20H24ClN7O4
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
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  5
1
Ki = 390 nM
   TI
   LI
   LO
   TS
2
Ki = 557 nM
   TI
   LI
   LO
   TS
3
Ki = 592 nM
   TI
   LI
   LO
   TS
4
Ki = 850 nM
   TI
   LI
   LO
   TS
5
Ki = 7200 nM
   TI
   LI
   LO
   TS