Ligand name: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
PDB ligand accession: NTG
DrugBank: n/a
PubChem: 79838750
ChEMBL: CHEMBL4901185
InChI Key: QPJKHSFVBDONPD-UHFFFAOYSA-N
SMILES: c1cc(ncc1N2CCCOCC2)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
5RF6	Download	Experimental	e5rf6A1 e5rf6A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot