Ligand name: DEQUALINIUM
PDB ligand accession: DEQ
DrugBank: DB04209
PubChem: 2993
ChEMBL: CHEMBL333826
InChI Key: PCSWXVJAIHCTMO-UHFFFAOYSA-P
SMILES: Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein P0A0N3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BT9	Download	Experimental	e3bt9A1 e3bt9B2 e3bt9A2	HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot
3BR2	Download	Experimental	e3br2B2 e3br2A1 e3br2A2	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain	LigPlot
3BTJ	Download	Experimental	e3btjA1 e3btjB2 e3btjA2	HTH Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot
3BR1	Download	Experimental	e3br1B1 e3br1A1 e3br1A2	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain	LigPlot