Ligand name: 5-[2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylcarbamothioylamino]-2-(6-oxidanyl-3-oxidanylidene-4,9-dihydroxanthen-9-yl)benzoic acid
PDB ligand accession: 9TQ
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VPENXLROBWFVHN-RFDUDFTJSA-N
SMILES: c1cc(c(cc1NC(=S)NCCOC2C(C(C(C(O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl glycosides

List of PDB structures and/or AlphaFold models with target protein Q7N561

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OFI	Download	Experimental	e5ofiC1 e5ofiA1 e5ofiB1 e5ofiD1	jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot