Ligand name: 3,4-dimethoxybenzoic acid
PDB ligand accession: TWO
DrugBank: n/a
PubChem: 7121
ChEMBL: CHEMBL118903
InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)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 Q2IU02

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EGN	Download	Experimental	e4egnA2 e4egnB2 e4egnC2 e4egnD2	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot