Ligand name: N-[[1-[(3S,3aR,6S,6aR)-6-[4-[[[4-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-N'-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
PDB ligand accession: QTY
DrugBank: n/a
PubChem: 154815600
ChEMBL: n/a
InChI Key: WUNJKQMXDITVGU-ADJUJXGJSA-N
SMILES: c1c(nnn1C2COC3C2OCC3n4cc(nn4)CNC(=O)CCC(=O)NC5C(C(C(C(O5)CO)O)O)O)CNC(=O)CCC(=O)NC6C(C(C(C(O6)CO)O)O)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 P02872

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VAV	Download	Experimental	e6vavA1 e6vavB1 e6vavC1 e6vavD1	jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot