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 Q7DJJ2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4M1U	Download	Experimental	e4m1uB1 e4m1uF1 e4m1uB1 e4m1uC1 e4m1uD1	OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7VHD	Download	Experimental	e7vhdB1 e7vhdF1 e7vhdB1 e7vhdC1 e7vhdD1 e7vhdE1 e7vhdF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7VHC	Download	Experimental	e7vhcB1 e7vhcF1 e7vhcB1 e7vhcC1 e7vhcC1 e7vhcD1 e7vhcE1 e7vhcF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7D6R	Download	Experimental	e7d6rB1 e7d6rF1 e7d6rB1 e7d6rC1 e7d6rC1 e7d6rD1 e7d6rE1 e7d6rF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7D6Q	Download	Experimental	e7d6qB1 e7d6qF1 e7d6qB1 e7d6qC1 e7d6qD1 e7d6qE1 e7d6qF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7VHF	Download	Experimental	e7vhfB1 e7vhfF1 e7vhfB1 e7vhfC1 e7vhfD1 e7vhfE1 e7vhfF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot
7VHE	Download	Experimental	e7vheB1 e7vheF1 e7vheB1 e7vheC1 e7vheC1 e7vheD1 e7vheE1 e7vheF1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot