Ligand name: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE
PDB ligand accession: 1PS
DrugBank: n/a
PubChem: 84929
ChEMBL: n/a
InChI Key: REEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES: c1cc[n+](cc1)CCCS(=O)(=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridinium derivatives

List of PDB structures and/or AlphaFold models with target protein Q5P8S7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4URF	Download	Experimental	e4urfA1 e4urfA1 e4urfB1	Rossmann-like Rossmann-like Rossmann-like	LigPlot
4URE	Download	Experimental	e4ureB1	Rossmann-like	LigPlot