Ligand name: 3-decanoyloxypropyl decanoate
PDB ligand accession: KR0
DrugBank: n/a
PubChem: 20482300
ChEMBL: n/a
InChI Key: PXVAQENAIBBOHT-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC
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 Q8A5H6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FQ6	Download	Experimental	e5fq6B2 e5fq6A1 e5fq6I1 e5fq6C1 e5fq6D2 e5fq6M2 e5fq6B2 e5fq6H1 e5fq6I1 e5fq6L1 e5fq6D2 e5fq6M2	Outer membrane meander beta-barrels Repetitive alpha hairpins Outer membrane meander beta-barrels Repetitive alpha hairpins Outer membrane meander beta-barrels Outer membrane meander beta-barrels Outer membrane meander beta-barrels Repetitive alpha hairpins Outer membrane meander beta-barrels Repetitive alpha hairpins Outer membrane meander beta-barrels Outer membrane meander beta-barrels	LigPlot
5FQ8	Download	Experimental	e5fq8A1 e5fq8B2 e5fq8D1 e5fq8C1 e5fq8B2 e5fq8D1	Repetitive alpha hairpins Outer membrane meander beta-barrels Outer membrane meander beta-barrels Repetitive alpha hairpins Outer membrane meander beta-barrels Outer membrane meander beta-barrels	LigPlot