Ligand name: 4-ethylbenzoic acid
PDB ligand accession: EGM
DrugBank: n/a
PubChem: 12086
ChEMBL: CHEMBL100768
InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)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
7R8T	Download	Experimental	e7r8tA1	Cytochrome P450	LigPlot
6OOW	Download	Experimental	e6oowA1	Cytochrome P450	LigPlot
4EGM	Download	Experimental	e4egmA2 e4egmB1 e4egmC2 e4egmD2	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot