Ligand name: 4-butylbenzoic acid
PDB ligand accession: HX1
DrugBank: n/a
PubChem: 88631
ChEMBL: CHEMBL116157
InChI Key: JFKUBRAOUZEZSL-UHFFFAOYSA-N
SMILES: CCCCc1ccc(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
8E5J	Download	Experimental	e8e5jA1	Cytochrome P450	LigPlot