Ligand name: N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(pyrimidin-2-ylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
PDB ligand accession: 2VC
DrugBank: n/a
PubChem: 90684386
ChEMBL: CHEMBL3774432
InChI Key: FGWKPELIWHWYFZ-OBYRPWEKSA-N
SMILES: CN1CCN(CC1)C(=O)NC(CCCONC(=N)N)C(=O)NC(CCc2ccccc2)C=CS(=O)(=O)c3ncccn3
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 P25779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XUI	Download	Experimental	e4xuiA1 e4xuiB1 e4xuiC1	Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like	LigPlot