Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5-{6-[(R)-(tetrahydro-furan-3-yl)amino]-purin-9-yl}-tetrahydro-furan-2-ylmethyl ester
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 PubChem ID
CID: 44366738
Canonical SMILES
O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
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Compound Formula C22H26N6O5S
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
CL000665 DDT1
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  1
1
Ki = 12 nM
   TI
   LI
   LO
   TS