Ligand name: boceprevir (bound form)
PDB ligand accession: U5G
DrugBank: n/a
PubChem: 71316139
ChEMBL: CHEMBL3542332
InChI Key: FEBWCINGHXXUCV-GFLQDLJJSA-N
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(C(=O)N)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Peptidomimetics
      • Subclass: Hybrid peptides

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
7BRP	Download	Experimental	e7brpB1 e7brpB2 e7brpA1 e7brpA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot