Ligand name: 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE
PDB ligand accession: 4DI
DrugBank: DB07106
PubChem: 5227
ChEMBL: CHEMBL1230270
InChI Key: UFYJLJINUGVUHO-UHFFFAOYSA-N
SMILES: [H]N=C(N)SCCCCN(C)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Isothioureas
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P50135

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2AOV	Download	Experimental	e2aovA1 e2aovB1	Rossmann-like Rossmann-like	LigPlot