Ligand name: 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium
PDB ligand accession: IS1
DrugBank: n/a
PubChem: 49867157
ChEMBL: CHEMBL1233664
InChI Key: NQSRPUVKZPKDIV-NNOPKNNOSA-O
SMILES: c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4C(C(C(O4)CO)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoyl derivatives

List of PDB structures and/or AlphaFold models with target protein Q80Z29

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3G8E	Download	Experimental	e3g8eA2 e3g8eB1 e3g8eB2 e3g8eA1 e3g8eA2 e3g8eB2	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot