Ligand name: 4-propan-2-ylbenzoic acid
PDB ligand accession: 4IA
DrugBank: n/a
PubChem: 10820
ChEMBL: CHEMBL116158
InChI Key: CKMXAIVXVKGGFM-UHFFFAOYSA-N
SMILES: CC(C)c1ccc(cc1)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Monoterpenoids

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
6OOX	Download	Experimental	e6ooxA1	Cytochrome P450	LigPlot
5KDB	Download	Experimental	e5kdbA1	Cytochrome P450	LigPlot