Ligand name: 1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one
PDB ligand accession: T2G
DrugBank: n/a
PubChem: 19325375
ChEMBL: n/a
InChI Key: CMCBVCKQOHOWJO-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)CN2CCN(CC2)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

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

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
5REL	Download	Experimental	e5relA1 e5relA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot