Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamoyl)-benzenesulfonyl fluoride
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 PubChem ID
CID: 10320870
SID: 15330306
Canonical SMILES
CCCn1c2nc(NC(=O)c3cccc(c3)S(F)(=O)=O)[nH]c2c(=O)n(CCC)c1=O
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Compound Formula C18H20FN5O5S
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)
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Nucleotide-like receptor (family A GPCR)
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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)  1
1
IC50 = 3500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 0.79 nM