Ligand name: (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide
PDB ligand accession: 01E
DrugBank: n/a
PubChem: 137347828
ChEMBL: n/a
InChI Key: DUBMDYQWHSIBPD-FBESYSLLSA-N
SMILES: CC(C(C(=O)NCc1ccc(cc1)I)O)NC(=O)C(CC(=O)n2cccc2)NC(=O)C(C(C)(C)C)NC(=O)CC(C)(C)C
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 P16753

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WPO	Download	Experimental	e2wpoA1 e2wpoB1 e2wpoC1 e2wpoD1	Herpes virus serine proteinase, assemblin Herpes virus serine proteinase, assemblin Herpes virus serine proteinase, assemblin Herpes virus serine proteinase, assemblin	LigPlot