Ligand name: 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
PDB ligand accession: FHX
DrugBank: DB16133
PubChem: 50914062
ChEMBL: CHEMBL4297507
InChI Key: LOWWYYZBZNSPDT-ZBEGNZNMSA-N
SMILES: CC1CN(C12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P52333

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7C3N	Download	Experimental	e7c3nA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot