Brief Information of the Compound and Protein
Compound Name
1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-((3-(2-phenoxypyridin-3-yl)-1,2,4-oxadiazol-5-yl)methyl)-1,4-diazepane
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PubChem ID
CID: 44579272
Canonical SMILES
C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
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Compound Formula C28H29N5O4
Compound Structure
Protein Name
Alpha-2A adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Adrenergic receptor
Uniprot ID
P08913
Gene Name
ADRA2A
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
Ki = 15.4 nM
   TI
   LI
   LO
   TS
2
Ki = 44.8 nM
   TI
   LI
   LO
   TS