Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Bromo-acetic acid 2-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-1-methyl-ethyl ester
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 PubChem ID
CID: 10411021
SID: 15428634
Canonical SMILES
CCCn1c(=O)n(CC(C)OC(=O)CBr)c2nc([nH]c2c1=O)C1CCCC1
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Compound Formula C18H25BrN4O4
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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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 = 11 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1.1 nM