Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
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 PubChem ID
CID: 657378
SID: 81044338
Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
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Compound Formula C15H21N5O4
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  5
1
Ki = 0.45 nM
   TI
   LI
   LO
   TS
2
Ki = 1.8 nM
   TI
   LI
   LO
   TS
3
Ki = 2.25 nM
   TI
   LI
   LO
   TS
4
Ki = 2.3 nM
   TI
   LI
   LO
   TS
5
Ki = 10 nM
   TI
   LI
   LO
   TS
CL000331 DDT1-MF2
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  2
1
IC50 = 2.7 nM
   TI
   LI
   LO
   TS
2
Ki = 21.5 nM
   TI
   LI
   LO
   TS
CL000314 HEK293T/17
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 6.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5.9 nM