Brief Information of the Compound and Protein
Compound Name
5-[(2,3-ditritiopropanoylamino)methyl]-N1,N3-bis[2-[3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]-4-piperidyl]butyl]imidazol-4-yl]propanoylamino]ethyl]benzene-1,3-dicarboxamide Tetrakis(hydrotrifluoroacetate)
    Show/Hide
PubChem ID
CID: 137643254
Canonical SMILES
O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[3H]CC([3H])C(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1
    Show/Hide
Compound Formula C84H95F12N15O17
Compound Structure
Protein Name
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 Cricetulus griseus (Chinese hamster)  4
1
Kd = 0.2 nM
   TI
   LI
   LO
   TS
2
Kd = 0.31 nM
   TI
   LI
   LO
   TS
3
Kd = 0.91 nM
   TI
   LI
   LO
   TS
4
Ki = 0.41 nM
   TI
   LI
   LO
   TS