Ligand name: 1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one
PDB ligand accession: T8M
DrugBank: n/a
PubChem: 60655566
ChEMBL: n/a
InChI Key: PEHVQKQLQOREKN-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)Cc2cccs2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
5RFW	Download	Experimental	e5rfwA1 e5rfwA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
5RHA	Download	Experimental	e5rhaA1 e5rhaA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot