Ligand name: 3-NITROTOLUENE
PDB ligand accession: 3NT
DrugBank: n/a
PubChem: 7422
ChEMBL: CHEMBL114059
InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P0A111

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2HMO	Download	Experimental	e2hmoA2	TBP-like	LigPlot