Ligand name: N-acetyl-alpha-neuraminic acid
PDB ligand accession: SIA
DrugBank: DB03721
PubChem: 444885
ChEMBL: CHEMBL1234621
InChI Key: SQVRNKJHWKZAKO-YRMXFSIDSA-N
SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein C3W5S1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4JTV	Download	Experimental	e4jtvG1 e4jtvA1 e4jtvC1 e4jtvE1 e4jtvI1 e4jtvK1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
3UBE	Download	Experimental	e3ubeG1 e3ubeA1 e3ubeC1 e3ubeE1 e3ubeI1 e3ubeK1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot
4JU0	Download	Experimental	e4ju0K1 e4ju0A1 e4ju0C1 e4ju0E1 e4ju0G1 e4ju0I1	jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll	LigPlot