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 P69905

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ONZ	Download	Experimental	e3onzA1	Globin-like	LigPlot
3P5Q	Download	Experimental	e3p5qA1	Globin-like	LigPlot
4NI0	Download	Experimental	e4ni0A1	Globin-like	LigPlot
4NI1	Download	Experimental	e4ni1A1	Globin-like	LigPlot
2DN1	Download	Experimental	e2dn1A1	Globin-like	LigPlot
1YZI	Download	Experimental	e1yziA1	Globin-like	LigPlot
4N8T	Download	Experimental	e4n8tA1	Globin-like	LigPlot
1R1X	Download	Experimental	e1r1xA1	Globin-like	LigPlot
8FDM	Download	Experimental	e8fdmA1 e8fdmD1 e8fdmB1 e8fdmC1	Globin-like Globin-like Globin-like Globin-like	LigPlot
3D17	Download	Experimental	e3d17A1	Globin-like	LigPlot
3D7O	Download	Experimental	e3d7oA1	Globin-like	LigPlot
5E6E	Download	Experimental	e5e6eA1	Globin-like	LigPlot