Ligand name: ACETYLCHOLINE
PDB ligand accession: ACH
DrugBank: DB03128
PubChem: 187
ChEMBL: CHEMBL667
InChI Key: OIPILFWXSMYKGL-UHFFFAOYSA-N
SMILES: CC(=O)OCC[N+](C)(C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Quaternary ammonium salts

List of proteins that are targets for ACH

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P08172_ACH	P08172	Muscarinic acetylcholine receptor	n/a	Ki(nM) = 158.0 EC50(nM) = 7.0
2	Q8WSF8_ACH	Q8WSF8	Soluble acetylcholine receptor	n/a
3	P11229_ACH	P11229	Muscarinic acetylcholine receptor	n/a	Ki(nM) = 3.4 IC50(nM) = 135.0 Kd(nM) = 17378.0 EC50(nM) = 1.1
4	P21836_ACH	P21836	Acetylcholinesterase (AChE) (EC	n/a
5	A0A3B8MYE1_ACH	A0A3B8MYE1	Glycine/betaine ABC transporter	n/a
6	P08173_ACH	P08173	Muscarinic acetylcholine receptor	n/a	Ki(nM) = 5400.0 EC50(nM) = 10.0
7	P58154_ACH	P58154	Acetylcholine-binding protein (ACh-binding	n/a	Ki(nM) = 3162.28 Kd(nM) = 458.0
8	Q15485_ACH	Q15485	Ficolin-2 (37 kDa	n/a
9	P39075_ACH	P39075	Multidrug-efflux transporter 1	n/a
10	E0SJQ4_ACH	E0SJQ4	Gamma-aminobutyric-acid receptor subunit	n/a
11	Q92N37_ACH	Q92N37	Choline ABC transporter,	n/a
12	Q9HVF8_ACH	Q9HVF8	Probable chemotaxis transducer	n/a
13	P36544_ACH	P36544	Neuronal acetylcholine receptor	n/a	Ki(nM) = 501.0 EC50(nM) = 4000.0
14	P04058_ACH	P04058	Acetylcholinesterase (AChE) (EC	n/a
15	P20309_ACH	P20309	Muscarinic acetylcholine receptor	n/a	Ki(nM) = 4200.0 EC50(nM) = 3.2