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 Q9AMP1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ARP	Download	Experimental	e3arpA3 e3arpA2	TIM beta/alpha-barrel FKBP-like	LigPlot
3ART	Download	Experimental	e3artA3	TIM beta/alpha-barrel	LigPlot