Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-(4-tert-butylphenoxy)cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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 PubChem ID
CID: 168269168
Canonical SMILES
CC(C)(C)c1ccc(O[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
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Compound Formula C25H33N5O5
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
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 18.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Kd = 363.08 nM
   TI
   LI
   LO
   TS
2
Ki = 446.68 nM
   TI
   LI
   LO
   TS