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Ligand Download |
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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 | ||
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
| Soluble acetylcholine receptor | Q8WSF8 (Q8WSF8_APLCA) | Aplysia californica | 2XZ5 | Ki : 98300.0 nM | PDBBind | SHOW |
| Gamma-aminobutyric-acid receptor subunit beta-1 | E0SJQ4 (E0SJQ4_DICD3) | Dickeya dadantii | 3RQW | Kd : 2000000.0 nM | PDBBind | SHOW |
| Putative choline ABC transporter, periplasmic solute-binding component | Q92N37 (Q92N37_RHIME) | Rhizobium meliloti | 2RIN | Kd : 100000.0 nM | PDBBind | SHOW |
| Putative choline ABC transporter, periplasmic solute-binding component | Q92N37 (Q92N37_RHIME) | Rhizobium meliloti | 2RIN | Kd : 145000.0 nM | Binding MOAD | SHOW |
| Acetylcholine-binding protein | P58154 (ACHP_LYMST) | Lymnaea stagnalis | 3WIP |
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SHOW |
| Acetylcholinesterase | P04058 (ACES_TETCF) | Tetronarce californica | 2ACE |
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SHOW |