Brief Information of the Compound and Protein
Compound Name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[4-(isothiocyanatomethyl)anilino]purin-9-yl]oxolane-3,4-diol
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Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CN=C=S)cc3)ncnc12
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Compound Formula C18H18N6O4S
Compound Structure
Protein Name
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
CL000386 Flp-In-CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 19.95 nM
   TI
   LI
   LO
   TS
2
EC50 = 269.15 nM
   TI
   LI
   LO
   TS