Ligand name: N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
PDB ligand accession: N4D
DrugBank: DB08242
PubChem: 23400214
ChEMBL: CHEMBL410668
InChI Key: OYTBZXSFNNAVKU-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC
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
3L8X	Download	Experimental	e3l8xA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot