Ligand name: [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
PDB ligand accession: 5CP
DrugBank: DB07168
PubChem: 23624249
ChEMBL: n/a
InChI Key: MFMSRHREFZCFSN-UHFFFAOYSA-N
SMILES: CNc1cc(nc(n1)Nc2ccc(cc2)CC#N)Nc3cc([nH]n3)C4CC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzyl cyanides

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q13554

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BHH	Download	Experimental	e3bhhA1 e3bhhB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot