Ligand name: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL
PDB ligand accession: PE3
DrugBank: n/a
PubChem: 656926
ChEMBL: n/a
InChI Key: ILLKMACMBHTSHP-UHFFFAOYSA-N
SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein A0A1R0YRH0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MGL	Download	Experimental	e6mglA1	beta-propeller-like	LigPlot
6MGK	Download	Experimental	e6mgkA1 e6mgkB1 e6mgkC2 e6mgkD2	beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot
6MGJ	Download	Experimental	e6mgjA2 e6mgjB1 e6mgjB2 e6mgjC1 e6mgjC2 e6mgjD1 e6mgjD2 e6mgjE1 e6mgjE2 e6mgjF1 e6mgjG1 e6mgjH1 e6mgjH2	beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot