Ligand name: (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
PDB ligand accession: KLR
DrugBank: n/a
PubChem: 169408166
ChEMBL: n/a
InChI Key: OUPPHPJHMDQSCE-SFHVURJKSA-N
SMILES: CC(C)(C)NC(=O)C(c1cccnc1)Nc2ccc(cc2)CCC#N
Drug action: n/a

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
7GB0	Download	Experimental	e7gb0A1 e7gb0A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot