Ligand name: 3-(2-CARBOXYETHYL)BENZOIC ACID
PDB ligand accession: 3EB
DrugBank: n/a
PubChem: 11344556
ChEMBL: CHEMBL2365081
InChI Key: XUOCLOJWCPUKCS-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)C(=O)O)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Phenylpropanoic acids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9KID9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BPS	Download	Experimental	e4bpsA1 e4bpsA2	Bacillus chorismate mutase-like Bacillus chorismate mutase-like	LigPlot