Ligand name: (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline
PDB ligand accession: 3V5
DrugBank: n/a
PubChem: 137348177
ChEMBL: n/a
InChI Key: SKDDBJCIWUNJNL-XKNYDFJKSA-N
SMILES: CC(=O)C(C=O)C1CC(C(N1)C(=O)O)SCNCN
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 I6Y9J2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QTF	Download	Experimental	e4qtfA2	L,D-transpeptidase catalytic domain-like	LigPlot