Ligand name: 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
PDB ligand accession: 7OU
DrugBank: DB13155
PubChem: 5281417
ChEMBL: CHEMBL482581
InChI Key: XHCADAYNFIFUHF-TVKJYDDYSA-N
SMILES: c1c2c(cc(c1OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=C2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Coumarins and derivatives
      • Subclass: Coumarin glycosides

List of PDB structures and/or AlphaFold models with target protein I0AIT9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VL7	Download	Experimental	e7vl7A1	TIM beta/alpha-barrel	LigPlot