Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide
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 PubChem ID
CID: 44354130
Canonical SMILES
CNC(=O)C12CC1C(C(O)C2O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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Compound Formula C20H20ClIN6O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
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
P0DMS8
Gene Name
ADORA3
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)  1
1
Ki = 2.1 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
Ki = 1.6 nM
   TI
   LI
   LO
   TS
2
Ki = 9.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.4 nM
2 Ki = 2.1 nM
3 Ki = 143 nM