Ligand name: ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
PDB ligand accession: S8B
DrugBank: n/a
PubChem: 72551298
ChEMBL: CHEMBL2431212
InChI Key: STAFRSGTRKNXHF-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2
Drug action: n/a

ClassyFire chemical classification:

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

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
7AWU	Download	Experimental	e7awuA1 e7awuA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot