Ligand name: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
PDB ligand accession: GPR
DrugBank: DB01834
PubChem: 449366
ChEMBL: n/a
InChI Key: JNNIZILNBMPOAC-MOXQZVSFSA-N
SMILES: c1ccc2c(c1)-c3ccccc3C(C2O)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 PDB structures and/or AlphaFold models with target protein P04905

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FYG	Download	Experimental	e3fygA2 e3fygB1 e3fygA1 e3fygB2 e3fygB1 e3fygA1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
3GST	Download	Experimental	e3gstA2 e3gstA1 e3gstB1 e3gstB2 e3gstA1 e3gstB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
1MTC	Download	Experimental	e1mtcA2 e1mtcB1 e1mtcA1 e1mtcB2 e1mtcB1 e1mtcA1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
5FWG	Download	Experimental	e5fwgA2 e5fwgB1 e5fwgA1 e5fwgB2 e5fwgB1 e5fwgA1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot