Ligand name: 2-4-DIOXO-4-PHENYLBUTANOIC ACID
PDB ligand accession: XI7
DrugBank: n/a
PubChem: 493418
ChEMBL: CHEMBL19332
InChI Key: JGKFWCXVYCDKDU-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(=O)CC(=O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein P0A5J4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S9I	Download	Experimental	e3s9iA1	TIM beta/alpha-barrel	LigPlot