Ligand name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
PDB ligand accession: U1G
DrugBank: n/a
PubChem: 565340
ChEMBL: CHEMBL1719073
InChI Key: IVYZJWUTDZYPEB-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)C(=O)c2ccco2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5RGO	Download	Experimental	e5rgoA1 e5rgoA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot