Ligand name: [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
PDB ligand accession: G4J
DrugBank: DB15003
PubChem: 118878093
ChEMBL: CHEMBL4297477
InChI Key: BUWBRTXGQRBBHG-MJBXVCDLSA-N
SMILES: Cn1cc(cn1)Nc2nccc(n2)N3CC4CCC(C3)N4C(=O)C5CC5(F)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P29597

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6DBM	Download	Experimental	e6dbmA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot