Ligand name: N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
PDB ligand accession: N1J
DrugBank: n/a
PubChem: 138911331
ChEMBL: CHEMBL4545456
InChI Key: KMRYRPPWJDYHAL-QGZVFWFLSA-N
SMILES: CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c5cnn6c5C(CCCC6)C)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OQO	Download	Experimental	e6oqoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot