Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5S)-4-Amino-5-hydroxymethyl-2-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3-ol
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 PubChem ID
CID: 10390495
SID: 15406137
Canonical SMILES
N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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Compound Formula C17H19IN6O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
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
P29274
Gene Name
ADORA2A
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)  7
1
Ki = 6.4 nM
   TI
   LI
   LO
   TS
2
Ki = 18 nM
   TI
   LI
   LO
   TS
3
Ki = 57 nM
   TI
   LI
   LO
   TS
4
Ki = 64 nM
   TI
   LI
   LO
   TS
5
Ki = 67 nM
   TI
   LI
   LO
   TS
6
Ki = 87 nM
   TI
   LI
   LO
   TS
7
Ki = 88 nM
   TI
   LI
   LO
   TS