Ligand name: neoseptin 3
PDB ligand accession: V2A
DrugBank: n/a
PubChem: 77461013
ChEMBL: CHEMBL3818998
InChI Key: OACODUCFPHHCIH-SANMLTNESA-N
SMILES: CC(C)(C)OC(=O)C(CCc1ccccc1)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Stilbenes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9QUK6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5IJC	Download	Experimental	e5ijcD1 e5ijcA1 e5ijcC1 e5ijcB1 e5ijcD1 e5ijcA1 e5ijcA2	Immunoglobulin-like beta-sandwich Single-stranded right-handed beta-helix Immunoglobulin-like beta-sandwich Single-stranded right-handed beta-helix Immunoglobulin-like beta-sandwich Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot