Ligand name: TOLUENE
PDB ligand accession: MBN
DrugBank: DB11558
PubChem: 1140
ChEMBL: CHEMBL9113
InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N
SMILES: Cc1ccccc1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Toluenes

List of PDB structures and/or AlphaFold models with target protein Q00456

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TDS	Download	Experimental	e5tdsA1 e5tdsA1 e5tdsB1 e5tdsD1	Ferritin/Heme oxygenase/4-helical cytokines Ferritin/Heme oxygenase/4-helical cytokines Ferritin/Heme oxygenase/4-helical cytokines Ferritin/Heme oxygenase/4-helical cytokines	LigPlot
5TDT	Download	Experimental	e5tdtA1 e5tdtD1 e5tdtG1	Ferritin/Heme oxygenase/4-helical cytokines Ferritin/Heme oxygenase/4-helical cytokines beta-Grasp	LigPlot