Ligand name: 1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
PDB ligand accession: OVX
DrugBank: n/a
PubChem: 156906897
ChEMBL: n/a
InChI Key: OMBIOAUKLYASJI-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)c4cccc(c4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

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
7GGG	Download	Experimental	e7gggA1 e7gggA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
7GHS	Download	Experimental	e7ghsA1 e7ghsA2 e7ghsB2 e7ghsA1 e7ghsB1 e7ghsB2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot