Ligand name: 4-methylsulfanylbenzoic acid
PDB ligand accession: 4MI
DrugBank: n/a
PubChem: 83230
ChEMBL: CHEMBL99816
InChI Key: KWHCPERWLHBLOT-UHFFFAOYSA-N
SMILES: CSc1ccc(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
5KT1	Download	Experimental	e5kt1A1	Cytochrome P450	LigPlot
8DYB	Download	Experimental	e8dybA1	Cytochrome P450	LigPlot
7TQM	Download	Experimental	e7tqmA1	Cytochrome P450	LigPlot
7TP6	Download	Experimental	e7tp6A1	Cytochrome P450	LigPlot