Ligand name: 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE
PDB ligand accession: E55
DrugBank: DB04933
PubChem: 6912404
ChEMBL: CHEMBL501259
InChI Key: BPSMYQFMCXXNPC-MFCPCZTFSA-N
SMILES: CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC)OP(=O)(O)O)OCCC(CCCCCCC)OC)NC(=O)CCCCCCCCCC=CCCCCCC)O)OCCCCCCCCCC
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 Q9Y6Y9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ULA	Download	Experimental	e3ulaD2 e3ulaA4 e3ulaC4 e3ulaB1	Immunoglobulin-like beta-sandwich Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Immunoglobulin-like beta-sandwich	LigPlot
2Z65	Download	Experimental	e2z65C1 e2z65D1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot