Ligand name: (2beta,7beta,16S,17R,19E,21beta)-21-(beta-D-glucopyranosyloxy)-2,7-dihydro-7,17-cyclosarpagan-17-yl acetate
PDB ligand accession: DH8
DrugBank: n/a
PubChem: 137349178
ChEMBL: n/a
InChI Key: XIMVERLQIHPDQE-LIEAMVCMSA-N
SMILES: CC=C1C2CC3C4C5(CC(C2C5OC(=O)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)c7ccccc7N4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Ajmaline-sarpagine alkaloids
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9SPP9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3U57	Download	Experimental	e3u57A1 e3u57B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot