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 I6NNE1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WA2	Download	Experimental	e4wa2A1 e4wa2A2 e4wa2B1 e4wa2B2 e4wa2C2 e4wa2D1 e4wa2D2 e4wa2E2 e4wa2F1 e4wa2F2 e4wa2A1 e4wa2F1 e4wa2B2 e4wa2D1 e4wa2C1 e4wa2C2 e4wa2B2 e4wa2C2 e4wa2D1 e4wa2C2 e4wa2D1 e4wa2B2 e4wa2E1 e4wa2E2 e4wa2A1 e4wa2E2 e4wa2F1 e4wa2E2 e4wa2F1	jelly-roll Hemagglutinin HA2 chain Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
4WA1	Download	Experimental	e4wa1A1 e4wa1A2 e4wa1B1 e4wa1B2 e4wa1C1 e4wa1C2 e4wa1D1 e4wa1D2 e4wa1E1 e4wa1E2 e4wa1F1 e4wa1F2 e4wa1A2 e4wa1B2 e4wa1D1 e4wa1A2 e4wa1C1 e4wa1C2 e4wa1B2 e4wa1C1 e4wa1D1 e4wa1C1 e4wa1D1 e4wa1B2 e4wa1E1 e4wa1E2 e4wa1E2 e4wa1F2 e4wa1E2 e4wa1F2	Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain Hemagglutinin HA2 chain jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll Hemagglutinin HA2 chain jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot