Ligand name: 2-(acetyloxy)-3-methylbenzoic acid
PDB ligand accession: M3S
DrugBank: n/a
PubChem: 78094
ChEMBL: CHEMBL1234172
InChI Key: XRBMKGUDDJPAMH-UHFFFAOYSA-N
SMILES: Cc1cccc(c1OC(=O)C)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P00800

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FCQ	Download	Experimental	e3fcqA1	Zincin-like	LigPlot