Ligand |
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| Ligand Name: ACETYLCHOLINE | ||
| HET ID: ACH | PubChem: 187 | |
| DrugBank: DB03128 | ChEMBL: CHEMBL667 | |
| Canonical SMILES: CC(=O)OCC[N+](C)(C)C | ||
| Standard InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | ||
| Molecular Formula: C7H16NO2+ | Mol. Weight: 146.20744 | Heavy Atoms: 10 |
| Charge: 1 | Is Chiral: False | logP: 0.2557 |
| HBD: 0 | HBA: 2 | TPSA: 26.3 |
| #Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 100000 nM |
| Binding MOAD | Kd : 145000 nM |