Brief Information of the Compound and Protein
Compound Name
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-N-(cyclopropylmethyl)-3,4-dihydroxy-tetrahydrothiophene-2-carboxamide
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PubChem ID
CID: 11657274
SID: 16760758
Canonical SMILES
O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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Compound Formula C21H22ClIN6O3S
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2220 nM
   TI
   LI
   LO
   TS