Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethyl]-3-(4-isothiocyanatophenyl)thiourea
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Canonical SMILES
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCNC(=S)Nc3ccc(cc3)N=C=S)ncnc12
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Compound Formula C20H22N8O4S2
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
CL000386 Flp-In-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3.162 nM
   TI
   LI
   LO
   TS