Ligand name: N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
PDB ligand accession: P37
DrugBank: DB08349
PubChem: 42647297
ChEMBL: CHEMBL559401
InChI Key: WMEYCLAVMZKZCS-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GFE	Download	Experimental	e3gfeA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot