Ligand name: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile
PDB ligand accession: 10Q
DrugBank: n/a
PubChem: 66557875
ChEMBL: CHEMBL2178713
InChI Key: LWVMTILRDSZVMA-CYFREDJKSA-N
SMILES: CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)c5c(cccn5)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
4H3G	Download	Experimental	e4h3gA2 e4h3gA3 e4h3gB2 e4h3gB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot