Ligand name: METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
PDB ligand accession: S55
DrugBank: n/a
PubChem: 24894156
ChEMBL: n/a
InChI Key: HZZMXWZOTXPILK-NTXHKPOFSA-N
SMILES: CCC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC3c4c(c5ccccc5[nH]4)CCN3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Terpene glycosides

List of PDB structures and/or AlphaFold models with target protein Q8GU20

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JF6	Download	Experimental	e2jf6A1 e2jf6B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot