Ligand name: GLUTATHIONE S-(2,4 DINITROBENZENE)
PDB ligand accession: GDN
DrugBank: DB02458
PubChem: 97535
ChEMBL: CHEMBL1232997
InChI Key: FXEUKVKGTKDDIQ-UWVGGRQHSA-N
SMILES: c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P28161

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1HNC	Download	Experimental	e1hncA2 e1hncB1 e1hncA1 e1hncB2 e1hncB1 e1hncA1 e1hncC2 e1hncC1 e1hncD1 e1hncD2 e1hncC1 e1hncD1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
1HNA	Download	Experimental	e1hnaA2 e1hnaA1	Thioredoxin-like Repetitive alpha hairpins	LigPlot
1HNB	Download	Experimental	e1hnbA2 e1hnbB1 e1hnbA1 e1hnbB2 e1hnbB1 e1hnbA1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot