Ligand name: 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol
PDB ligand accession: 60E
DrugBank: n/a
PubChem: 121595975
ChEMBL: CHEMBL5282118
InChI Key: RDWYRIOEHIKPRE-INIZCTEOSA-N
SMILES: CCC(C)n1c2cc(ncc2c(n1)N3CC(C3)C(C)(C)O)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HCZ	Download	Experimental	e5hczA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot