Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxo-1-[2-[4-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]piperazin-1-yl]ethylamino]pentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 155566289
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1
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Compound Formula C57H78F15N13O16
Compound Structure
Protein Name
 Protein Info 
Muscarinic acetylcholine receptor M2
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Acetylcholine receptor
Uniprot ID
P08172
Gene Name
CHRM2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000845 CHO-K9
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  4
1
IC50 = 0.1905 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.778 nM
   TI
   LI
   LO
   TS
3
Ki = 0.0631 nM
   TI
   LI
   LO
   TS
4
Ki = 0.07943 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10.47 nM
   TI
   LI
   LO
   TS