Ligand name: 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
PDB ligand accession: 3BT
DrugBank: DB03910
PubChem: 1331
ChEMBL: CHEMBL107201
InChI Key: YEUSLPIIQGZHQB-UHFFFAOYSA-N
SMILES: [H]N=C(N)SCCc1cccc(c1)CCSC(=N)N
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 P29473

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1D1Y	Download	Experimental	e1d1yA1 e1d1yB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot