Ligand name: 2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
PDB ligand accession: QRF
DrugBank: n/a
PubChem: 156906487
ChEMBL: n/a
InChI Key: KIVBNAMDYXZGMT-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)N4CCN(CC4)C(=O)c5ccco5
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
7GJZ	Download	Experimental	e7gjzA1 e7gjzA2 e7gjzB1 e7gjzA1 e7gjzA2 e7gjzB1 e7gjzB2	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 Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot