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 C3W5S1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ZTN	Download	Experimental	e3ztnA1	jelly-roll	LigPlot
4M4Y	Download	Experimental	e4m4yA1 e4m4yC1 e4m4yE1	jelly-roll jelly-roll jelly-roll	LigPlot
3UBE	Download	Experimental	e3ubeA1 e3ubeG1 e3ubeC1 e3ubeE1 e3ubeK1 e3ubeA1 e3ubeC1 e3ubeK1 e3ubeI1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
5GJS	Download	Experimental	e5gjsA1	jelly-roll	LigPlot
4JTX	Download	Experimental	e4jtxA1 e4jtxC1 e4jtxI1 e4jtxE1 e4jtxG1 e4jtxK1 e4jtxI1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
4JU0	Download	Experimental	e4ju0C1 e4ju0G1 e4ju0I1 e4ju0C1 e4ju0K1 e4ju0A1 e4ju0E1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
7MEM	Download	Experimental	e7memE1 e7memC1 e7memF1	jelly-roll jelly-roll jelly-roll	LigPlot
3UBN	Download	Experimental	e3ubnA1 e3ubnG1 e3ubnC1 e3ubnE1 e3ubnK1 e3ubnA1 e3ubnI1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
3UBJ	Download	Experimental	e3ubjA1 e3ubjE1 e3ubjA1 e3ubjG1 e3ubjI1 e3ubjK1 e3ubjC1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
3LZG	Download	Experimental	e3lzgE1 e3lzgK1 e3lzgA1 e3lzgA1 e3lzgI1 e3lzgC1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
3AL4	Download	Experimental	e3al4A1 e3al4C1 e3al4I1 e3al4E1 e3al4G1 e3al4K1 e3al4A1 e3al4K1 e3al4C1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
4JTV	Download	Experimental	e4jtvA1 e4jtvC1 e4jtvG1 e4jtvC1 e4jtvE1 e4jtvI1 e4jtvK1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
3UBQ	Download	Experimental	e3ubqA1 e3ubqE1 e3ubqA1 e3ubqG1 e3ubqI1 e3ubqK1 e3ubqC1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
7FAH	Download	Experimental	e7fahA1 e7fahB1	jelly-roll jelly-roll	LigPlot
7T3D	Download	Experimental	e7t3dA1 e7t3dB1 e7t3dE1 e7t3dG1 e7t3dF1 e7t3dI1	jelly-roll Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain	LigPlot