Ligand name: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one
PDB ligand accession: 70Y
DrugBank: n/a
PubChem: 71738915
ChEMBL: CHEMBL3401342
InChI Key: VBYHYTJHKFQNCE-CPJSRVTESA-N
SMILES: CC(C)C1(CC(=O)N(C(=N)N1)Cc2cccc(c2)N3CC(CC3=O)c4ccccc4)C
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 P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XX4	Download	Experimental	e4xx4A1 e4xx4A2 e4xx4B1 e4xx4B2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot