Ligand name: 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE(BETA1-4)-2-ACETAMIDO-1,6-ANHYDRO-3-O-[(R)-1-CARBOXYETHYL]-2-DEOXY-BETA-D-GLUCOPYRANOSE-L-ALANYL-GAMMA-D-GLUTAMYL-MESO-DIAMINOPIMELYL-D-ALANINE
PDB ligand accession: MLD
DrugBank: DB04736
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 drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q96LB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q96LB9	Download	Predicted	Q96LB9_F1_nD1 Q96LB9_F1_nD2	N-acetylmuramoyl-L-alanine amidase-like N-acetylmuramoyl-L-alanine amidase-like
1SK3		Predicted	e1sk3A1
1SK4		Predicted	e1sk4A1
1TWQ		Predicted	e1twqA1
2APH		Predicted	e2aphA1 e2aphB1