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 Q6Q1S2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KIP	Download	Experimental	e7kipA3 e7kipB4 e7kipB4 e7kipC3 e7kipA3 e7kipC3 e7kipA4 e7kipA2 e7kipA1 e7kipA5 e7kipC2 e7kipA5 e7kipB4 e7kipA3 e7kipA3 e7kipA5 e7kipB5 e7kipB2 e7kipA5 e7kipB3 e7kipB1 e7kipC3 e7kipB4 e7kipB1 e7kipB4 e7kipC5 e7kipC4 e7kipB1 e7kipC1 e7kipA3 e7kipC2 e7kipC3 e7kipC2 e7kipC3	S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain jelly-roll Beta domain of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain Beta domain of coronavirus spike glycoprotein jelly-roll Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain Beta domain of coronavirus spike glycoprotein jelly-roll S2 subunit of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein	LigPlot
5SZS	Download	Experimental	e5szsA5 e5szsC5 e5szsA5 e5szsB4 e5szsB4 e5szsC5 e5szsA2 e5szsA3 e5szsA1 e5szsA4 e5szsB2 e5szsA5 e5szsB1 e5szsB3 e5szsB5 e5szsC4 e5szsB4 e5szsC1 e5szsC2 e5szsA4 e5szsC3 e5szsC5	S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain jelly-roll Beta domain of coronavirus spike glycoprotein Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain jelly-roll Beta domain of coronavirus spike glycoprotein S2 subunit of coronavirus spike glycoprotein jelly-roll Coronavirus spike protein receptor-binding domain Beta domain of coronavirus spike glycoprotein jelly-roll S2 subunit of coronavirus spike glycoprotein	LigPlot
3KBH	Download	Experimental	e3kbhE1 e3kbhF1 e3kbhG1 e3kbhH1	Coronavirus spike protein receptor-binding domain Coronavirus spike protein receptor-binding domain Coronavirus spike protein receptor-binding domain Coronavirus spike protein receptor-binding domain	LigPlot
7FC3	Download	Experimental	e7fc3E1 e7fc3A1	Coronavirus spike protein receptor-binding domain Zincin-like	LigPlot