Ligand name: [(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
PDB ligand accession: URK
DrugBank: n/a
PubChem: 156022783
ChEMBL: n/a
InChI Key: KRUSHXMEHBIKCV-IBGZPJMESA-N
SMILES: COc1cccc(c1OC)CNC(=O)C(c2ccc(cc2)[N+](=O)[O-])OC(=O)C=C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzyloxycarbonyls

List of PDB structures and/or AlphaFold models with target protein P0DTC1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NT2	Download	Experimental	e7nt2A1 e7nt2B1 e7nt2B2	cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot