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 Q71QF2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1JLX	Download	Experimental	e1jlxA1 e1jlxB1	beta-Trefoil beta-Trefoil	LigPlot