Ligand name: 4-nitrophenyl 1-thio-beta-D-glucopyranoside
PDB ligand accession: PSG
DrugBank: DB08430
PubChem: 656902
ChEMBL: CHEMBL1235458
InChI Key: IXFOBQXJWRLXMD-ZIQFBCGOSA-N
SMILES: c1cc(ccc1[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein P49235

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1E1F	Download	Experimental	e1e1fA1 e1e1fB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot