Ligand name: 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile
PDB ligand accession: 13W
DrugBank: n/a
PubChem: 11631207
ChEMBL: CHEMBL2151138
InChI Key: MLNWGLXMDFUREO-KRWDZBQOSA-N
SMILES: CC1(CC(=O)N(C(=N)N1)C)c2cc(cs2)c3cccc(c3)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HA5	Download	Experimental	e4ha5A2 e4ha5A3 e4ha5B2 e4ha5B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot