Ligand name: 3-methyl-5-oxidanyl-benzoic acid
PDB ligand accession: AW5
DrugBank: n/a
PubChem: 231756
ChEMBL: CHEMBL2146905
InChI Key: CFXOUQXGRQXUSE-UHFFFAOYSA-N
SMILES: Cc1cc(cc(c1)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 P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OUE	Download	Experimental	e5oueA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot