Ligand name: Nirmatrelvir
PDB ligand accession: ZGW
DrugBank: DB16691
PubChem: 155903259
ChEMBL: CHEMBL4802135
InChI Key: LIENCHBZNNMNKG-OJFNHCPVSA-N
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C#N)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
8GFU	Download	Experimental	e8gfuA1 e8gfuA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot