Ligand name: 4-methylbenzene-1,2-dicarboxylic acid
PDB ligand accession: KAY
DrugBank: n/a
PubChem: 20310
ChEMBL: CHEMBL571530
InChI Key: CWJJAFQCTXFSTA-UHFFFAOYSA-N
SMILES: Cc1ccc(c(c1)C(=O)O)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 Q9NUW8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6N0N	Download	Experimental	e6n0nA1 e6n0nA2 e6n0nB1 e6n0nB2	Phospholipase D/nuclease Phospholipase D/nuclease Phospholipase D/nuclease Phospholipase D/nuclease	LigPlot