Ligand name: 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile
PDB ligand accession: XF1
DrugBank: n/a
PubChem: 155803729
ChEMBL: CHEMBL4853536
InChI Key: KFGXONJZGIXSGH-UHFFFAOYSA-N
SMILES: CCCOc1cc(cc(c1)Cl)C2=CC(=CN(C2=O)c3cccnc3)c4ccccc4C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

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
7L11	Download	Experimental	e7l11A1 e7l11A2 e7l11B1 e7l11B1 e7l11B2	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	LigPlot