Ligand name: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile
PDB ligand accession: 954
DrugBank: n/a
PubChem: 118796839
ChEMBL: CHEMBL3797680
InChI Key: RVOBSBJZKQOYEK-VOJFVSQTSA-N
SMILES: Cc1c(c(nc(n1)N2CC3C(=O)N(C(=N)NC3(C2)c4ccc(s4)C#N)C)SC)F
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
5HDZ	Download	Experimental	e5hdzA1 e5hdzA2 e5hdzB1 e5hdzB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot