Brief Information of the Compound and Protein
Compound Name
3-Benzylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester
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PubChem ID
CID: 2778810
Canonical SMILES
CCOC(=O)c1sc(SCc2ccccc2)c2c1CCCC2=O
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Compound Formula C18H18O3S2
Compound Structure
Protein Name
Adenosine receptor A2a
Protein Classification
Membrane receptor
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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
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
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
Ki = 54300 nM
   TI
   LI
   LO
   TS
2
Ki = 72600 nM
   TI
   LI
   LO
   TS