Ligand name: 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
PDB ligand accession: 4DS
DrugBank: n/a
PubChem: 5281951
ChEMBL: CHEMBL1162148
InChI Key: YSCNMFDFYJUPEF-OWOJBTEDSA-N
SMILES: c1cc(c(cc1N=C=S)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)N=C=S
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Stilbenes
      • Subclass: Sulfonated stilbenes

List of PDB structures and/or AlphaFold models with target protein Q96PN6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CLZ	Download	Experimental	e4clzA1	Alpha-beta plaits	LigPlot