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 A2QAN3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JUV	Download	Experimental	e5juvA4 e5juvA1 e5juvA6 e5juvA1 e5juvA2	jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel Beta-galactosidase LacA, domain 3	LigPlot
5IHR	Download	Experimental	e5ihrA4 e5ihrA2 e5ihrA6 e5ihrA5 e5ihrA6	jelly-roll jelly-roll TIM beta/alpha-barrel Beta-galactosidase LacA, domain 3 TIM beta/alpha-barrel	LigPlot
5MGD	Download	Experimental	e5mgdA3 e5mgdA1 e5mgdA5 e5mgdA1 e5mgdA6	jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel Beta-galactosidase LacA, domain 3	LigPlot
5IFP	Download	Experimental	e5ifpA3 e5ifpA1 e5ifpA6 e5ifpA5 e5ifpA6	jelly-roll jelly-roll TIM beta/alpha-barrel Beta-galactosidase LacA, domain 3 TIM beta/alpha-barrel	LigPlot
5IFT	Download	Experimental	e5iftA4 e5iftA3 e5iftA6 e5iftA1 e5iftA3	jelly-roll TIM beta/alpha-barrel jelly-roll Beta-galactosidase LacA, domain 3 TIM beta/alpha-barrel	LigPlot
5MGC	Download	Experimental	e5mgcA2 e5mgcA1 e5mgcA3 e5mgcA1 e5mgcA5	jelly-roll TIM beta/alpha-barrel jelly-roll TIM beta/alpha-barrel Beta-galactosidase LacA, domain 3	LigPlot