Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(+/-)-5,5-difluoro-7-(4-(2-(6-(4-(2-hydroxy-3-(naphthalen-1-yloxy)propylamino)butylamino)-6-oxohexylamino)-2-oxoethoxy)styryl)-3-(thiophen-2-yl)-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide
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 PubChem ID
CID: 54757026
SID: 131483641
Canonical SMILES
O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12
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Compound Formula C46H50BF2N5O5S
Compound Structure
Protein Name
 Protein Info 
Beta-2 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P07550
Gene Name
ADRB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Kd = 0.7413 nM
   TI
   LI
   LO
   TS
2
Kd = 1.349 nM
   TI
   LI
   LO
   TS