Ligand name: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile
PDB ligand accession: 10J
DrugBank: n/a
PubChem: 60210990
ChEMBL: CHEMBL2178145
InChI Key: POOXGNGZUXTIQE-CPJSRVTESA-N
SMILES: CN1C(=O)C2CN(CC2(NC1=N)c3cc(cs3)c4cccc(c4)C#N)C(=O)c5ccccc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
4H1E	Download	Experimental	e4h1eA2 e4h1eA3 e4h1eB2 e4h1eB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot