Ligand name: 2-acetamido-2-deoxy-beta-D-glucopyranose
PDB ligand accession: NAG
DrugBank: DB00141
PubChem: 24139
ChEMBL: CHEMBL447878
InChI Key: OVRNDRQMDRJTHS-FMDGEEDCSA-N
SMILES: CC(=O)NC1C(C(C(OC1O)CO)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein Q96IY4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HVF	Download	Experimental	e5hvfA1 e5hvfA2	Phosphorylase/hydrolase-like Alpha-beta plaits	LigPlot
3D66	Download	Experimental	e3d66A1 e3d66A2 e3d66B1 e3d66B2 e3d66C1 e3d66C2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot
5HVG	Download	Experimental	e5hvgA1 e5hvgA2 e5hvgC2 e5hvgA2	Phosphorylase/hydrolase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot
3D67	Download	Experimental	e3d67A1 e3d67A2 e3d67B1 e3d67B2 e3d67C1 e3d67C2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot
5HVH	Download	Experimental	e5hvhA1 e5hvhA2	Phosphorylase/hydrolase-like Alpha-beta plaits	LigPlot
4P10	Download	Experimental	e4p10A1 e4p10A2	Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot
7NEU	Download	Experimental	e7neuA1	Alpha-beta plaits	LigPlot
3D68	Download	Experimental	e3d68A1 e3d68A2 e3d68B1 e3d68B2 e3d68C1 e3d68C2	Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like Alpha-beta plaits Phosphorylase/hydrolase-like	LigPlot