Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-tetrahydrothiophen-3-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
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 PubChem ID
CID: 44435352
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCSC3)ncnc12
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Compound Formula C14H19N5O4S
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)
>
Nucleotide-like receptor (family A GPCR)
>
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 = 5.3 nM
   TI
   LI
   LO
   TS
2
Ki = 70 nM
   TI
   LI
   LO
   TS