Ligand name: (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
PDB ligand accession: 60X
DrugBank: n/a
PubChem: 44467360
ChEMBL: CHEMBL3640290
InChI Key: FNMJFZYRSQTKIH-HXPMCKFVSA-N
SMILES: Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(cc4F)F)C)OC)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: Phenylpyrrolidines

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
5HE7	Download	Experimental	e5he7A1 e5he7A2 e5he7B1 e5he7B2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot