Ligand name: 3-methyl-2-(propanoyloxy)benzoic acid
PDB ligand accession: S3B
DrugBank: n/a
PubChem: 44462680
ChEMBL: n/a
InChI Key: NFOCQVCAZPKUKW-UHFFFAOYSA-N
SMILES: CCC(=O)Oc1c(cccc1C(=O)O)C
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
3F2P	Download	Experimental	e3f2pA1	Zincin-like	LigPlot