Ligand name: (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM
PDB ligand accession: PVE
DrugBank: n/a
PubChem: 49867540
ChEMBL: n/a
InChI Key: PKIXPGNFUHEBHN-JTQLQIEISA-O
SMILES: c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCCC3C(=O)O)O)O
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 P48632

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2W6U	Download	Experimental	e2w6uB1 e2w6uB2	N0 domain in phage tail proteins and secretins-like Outer membrane meander beta-barrels	LigPlot
2W16	Download	Experimental	e2w16B2 e2w16B4	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like	LigPlot
2W6T	Download	Experimental	e2w6tB2 e2w6tB4	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like	LigPlot
1XKH	Download	Experimental	e1xkhA1 e1xkhA2 e1xkhB1 e1xkhB2 e1xkhC1 e1xkhC2	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like N0 domain in phage tail proteins and secretins-like Outer membrane meander beta-barrels	LigPlot
2W77	Download	Experimental	e2w77B2 e2w77B4	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like	LigPlot
2IAH	Download	Experimental	e2iahA2 e2iahA3	N0 domain in phage tail proteins and secretins-like Outer membrane meander beta-barrels	LigPlot
2W76	Download	Experimental	e2w76B1 e2w76B4	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like	LigPlot
2W78	Download	Experimental	e2w78B1 e2w78B4	Outer membrane meander beta-barrels N0 domain in phage tail proteins and secretins-like	LigPlot