Ligand name: 2,4,6-TRINITROTOLUENE
PDB ligand accession: TNL
DrugBank: DB01676
PubChem: 8376
ChEMBL: CHEMBL1236345
InChI Key: SPSSULHKWOKEEL-UHFFFAOYSA-N
SMILES: Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[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 Q88PD0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AB4	Download	Experimental	e4ab4A1 e4ab4B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4AEO	Download	Experimental	e4aeoA1 e4aeoB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot