Ligand name: S-HEXYLGLUTATHIONE
PDB ligand accession: GTX
DrugBank: n/a
PubChem: 445875
ChEMBL: n/a
InChI Key: HXJDWCWJDCOHDG-RYUDHWBXSA-O
SMILES: CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]
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 PDB structures and/or AlphaFold models with target protein P09211

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GSS	Download	Experimental	e4gssA2 e4gssB1 e4gssA1 e4gssB2 e4gssB1 e4gssA1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
9GSS	Download	Experimental	e9gssA2 e9gssA1 e9gssB1 e9gssB2 e9gssA1 e9gssB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
17GS	Download	Experimental	e17gsA2 e17gsA1 e17gsB1 e17gsB2 e17gsA1 e17gsB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
1PGT	Download	Experimental	e1pgtA2 e1pgtA1 e1pgtB1 e1pgtB2 e1pgtA1 e1pgtB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
2J9H	Download	Experimental	e2j9hA1 e2j9hA2 e2j9hB1 e2j9hA1 e2j9hB1 e2j9hB2	Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like	LigPlot