Ligand name: (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE
PDB ligand accession: PCJ
DrugBank: n/a
PubChem: 49867479
ChEMBL: n/a
InChI Key: GBQDHEZHWNJSLG-OKPYTHRESA-N
SMILES: CCCCCCCCCCCCCCCC(=O)NC(CO)CSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9I5U2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8H1R	Download	Experimental	e8h1rA1 e8h1rA2	Periplasmic lipopolysaccharide transport protein LptA (YhbN) Outer membrane meander beta-barrels	LigPlot