Brief Information of the Compound and Protein
Compound Name
(2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol
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PubChem ID
CID: 9869857
SID: 16284335
Canonical SMILES
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12
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Compound Formula C21H26N10O4
Compound Structure
Protein Name
Adenosine receptor A2b
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
P29275
Gene Name
ADORA2B
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 51 nM
   TI
   LI
   LO
   TS
2
EC50 = 1000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1300 nM