Brief Information of the Compound and Protein
Compound Name
(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-pent-1-ynylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
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PubChem ID
CID: 44449034
SID: 85742323
Canonical SMILES
CCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H]4C[C@]4([C@@H](O)[C@H]3O)C(=O)NC)c2n1
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Compound Formula C25H27ClN6O3
Compound Structure
Protein Name
Adenosine receptor A1
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
Q60612
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1390 nM
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