Ligand name: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
PDB ligand accession: PEE
DrugBank: DB04327
PubChem: 9546757;44251425;
ChEMBL: n/a
InChI Key: MWRBNPKJOOWZPW-NYVOMTAGSA-N
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Glycerophospholipids
      • Subclass: Glycerophosphoethanolamines

List of PDB structures and/or AlphaFold models with target protein I4SQ31

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7OO0	Download	Experimental	e7oo0A3 e7oo0B3 e7oo0C3 e7oo0B3 e7oo0C3 e7oo0D3 e7oo0C3 e7oo0D3 e7oo0E3 e7oo0D3 e7oo0E3 e7oo0F3 e7oo0E3 e7oo0F3 e7oo0G3 e7oo0A3 e7oo0F3 e7oo0G3 e7oo0A3 e7oo0B3 e7oo0G3	Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region Mechanosensitive channel protein MscS (YggB), transmembrane region	LigPlot