Ligand name: 4-(ethylsulfanyl)benzoic acid
PDB ligand accession: 81M
DrugBank: n/a
PubChem: 83231
ChEMBL: n/a
InChI Key: LDYCQBKCUOVGDA-UHFFFAOYSA-N
SMILES: CCSc1ccc(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
7TP5	Download	Experimental	e7tp5A1	Cytochrome P450	LigPlot
5U6U	Download	Experimental	e5u6uA1	Cytochrome P450	LigPlot