Ligand name: (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,4R,6R)-3-hydroxy-4-(methoxyamino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-((2-nitrophenyl)sulfonamido)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate
PDB ligand accession: SJE
DrugBank: n/a
PubChem: 163321828
ChEMBL: n/a
InChI Key: CJEOVNNONSMRPA-HVUKKSFYSA-N
SMILES: CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)C(C(C2C)OC3CC(C(C(O3)C)O)(C)O)C)C(C)COC4C(C(C(C(O4)C)O)OC)OC)C)OC(=O)CC(C)C)C)(C)OC(=O)NCCNS(=O)(=O)c5ccccc5N(=O)=O)C)O)NOC
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 Q5SHP3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AZO	Download	Experimental	e7azoL4A1 e7azoL22A1 e7azoL4B1 e7azoL22B1	Ribosomal protein L4 Enolase-N/ribosomal protein Ribosomal protein L4 Enolase-N/ribosomal protein	LigPlot