Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-(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)-N-[2-[2-[2-[2-[2-[2-[3-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
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 PubChem ID
CID: 156019703
Canonical SMILES
F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12
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Compound Formula C49H61BF2N8O9S
Compound Structure
Protein Name
 Protein Info 
Muscarinic acetylcholine receptor M1
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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Monoamine receptor
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Acetylcholine receptor
Uniprot ID
P11229
Gene Name
CHRM1
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
Ki = 8.913 nM
   TI
   LI
   LO
   TS