Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[2-[2-[2-[6-[[2-[4-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)phenoxy]acetyl]amino]hexanoylamino]ethoxy]ethoxy]ethyl]-N'-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butanediamide
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 PubChem ID
CID: 57325868
SID: 136327827
Canonical SMILES
COc1ccc(cc1)-n1nc2c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc3ccc(cc3)C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)nc3ccccc3n2c1=O
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Compound Formula C53H55BF2N10O9S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2b
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
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd < 1000 nM
   TI
   LI
   LO
   TS