Ligand Data

Ligand

id 1931
Name iperoxo
SMILES C[N+](CC#CCOC1=NOCC1)(C)C
InChIKey WXXOCGISBCTWPW-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 4MQS 4MQT 6OIK 6OIJ

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight 197.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
M2 Q8VH27 Guinea pig Acetylcholine (muscarinic) A (Rhodopsin) 0.1 0.1 0.2
M2 ACM2 Human Acetylcholine (muscarinic) A (Rhodopsin) 2.2 56.6 257.0 0.3 0.3 0.3
M1 ACM1 Human Acetylcholine (muscarinic) A (Rhodopsin) 1.3 829.7 2138.0 2.0 2.0 2.0