Ligand name: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA
PDB ligand accession: MLD
DrugBank: DB04736
PubChem: 163626
ChEMBL: n/a
InChI Key: UPFMKPIBAIPLHT-RSJSDIDPSA-N
SMILES: CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C2OCC(C1OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O2)NC(=O)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 I6Y9J2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QTF	Download	Experimental	e4qtfA3	Immunoglobulin-like beta-sandwich	LigPlot
4QR7	Download	Experimental	e4qr7A2	Immunoglobulin-like beta-sandwich	LigPlot
4QRB	Download	Experimental	e4qrbA1	Immunoglobulin-like beta-sandwich	LigPlot