Ligand name: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol
PDB ligand accession: 440
DrugBank: DB07079
PubChem: 23627203
ChEMBL: CHEMBL402747
InChI Key: CARKQNSZFCLNKM-UHFFFAOYSA-N
SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)CCCS
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzenesulfonyl compounds

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P78536

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3B92	Download	Experimental	e3b92A1	Zincin-like	LigPlot