Ligand name: (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
PDB ligand accession: NB1
DrugBank: DB08255
PubChem: 11507040
ChEMBL: CHEMBL1213604
InChI Key: QWOPEBCGKASVQP-QXOHVQIXSA-N
SMILES: CCCC1=NC2C(C(C(OC2S1)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 Q89ZI2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2J4G	Download	Experimental	e2j4gA2 e2j4gB2	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot