Brief Information of the Compound and Protein
Compound Name
 Compound Info 
6-[[2-[4-[(E)-2-(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)ethenyl]phenoxy]acetyl]amino]-N-[4-[[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]amino]butyl]hexanamide
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 PubChem ID
CID: 54756927
SID: 131483544
Canonical SMILES
O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
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Compound Formula C46H50BF2N5O5S
Compound Structure
Protein Name
 Protein Info 
Beta-1 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P08588
Gene Name
ADRB1
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)  3
1
Kd = 13.49 nM
   TI
   LI
   LO
   TS
2
Kd = 33.11 nM
   TI
   LI
   LO
   TS
3
Kd = 181.97 nM
   TI
   LI
   LO
   TS