Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-Fluorosulfonyl-benzoic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propyl ester
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 PubChem ID
CID: 133012
SID: 15283980
Canonical SMILES
CCCn1c(=O)n(CCCOC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc([nH]c2c1=O)C1CCCC1
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Compound Formula C23H27FN4O6S
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 = 10 nM
   TI
   LI
   LO
   TS
2
IC50 = 11.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11.8 nM
2 Kd = 0.33 nM
3 Kd = 0.71 nM