Ligand name: 6-isothiocyanatohexylbenzene
PDB ligand accession: 1X2
DrugBank: n/a
PubChem: 114757
ChEMBL: CHEMBL461242
InChI Key: VJNWEQGIPZMBMA-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCCCCCN=C=S
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P14174

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OYQ	Download	Experimental	e4oyqA1 e4oyqB1 e4oyqB1 e4oyqC1 e4oyqA1 e4oyqC1	Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like Tautomerase/MIF-like	LigPlot