Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1'R,2'R,3'S,4'R,5'S)-4'-[2-Chloro-6-(3-chlorobenzylamino)-purine]-2',3'-O-dihydroxybicyclo-[3.1.0]hexane
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 PubChem ID
CID: 44579715
SID: 87794255
Canonical SMILES
O[C@@H]1[C@@H]2C[C@@H]2[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12
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Compound Formula C18H17Cl2N5O2
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki = 1600 nM
   TI
   LI
   LO
   TS
2
Ki = 3070 nM
   TI
   LI
   LO
   TS