Ligand name: (2E,4aR,7aS)-7a-(2,6-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: 60T
DrugBank: n/a
PubChem: 44467506
ChEMBL: CHEMBL3640258
InChI Key: NAXGDHGFSCZYGN-OVWNDWIMSA-N
SMILES: Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4c(cccc4F)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
5HE4	Download	Experimental	e5he4A1 e5he4A2 e5he4B1 e5he4B2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot