Ligand name: 1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one
PDB ligand accession: U0Y
DrugBank: n/a
PubChem: 27046747
ChEMBL: CHEMBL4583025
InChI Key: DRKSMECTOWRXKP-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

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

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
5RGL	Download	Experimental	e5rglA1 e5rglA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot