Ligand name: 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
PDB ligand accession: 4BT
DrugBank: DB02141
PubChem: 1337
ChEMBL: CHEMBL444422
InChI Key: FZWGDUUJDZCYJR-UHFFFAOYSA-N
SMILES: [H]N=C(N)SCCc1ccc(cc1)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
1D1X	Download	Experimental	e1d1xA1 e1d1xB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot