Ligand name: [4-({4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
PDB ligand accession: 38R
DrugBank: n/a
PubChem: 45111334
ChEMBL: n/a
InChI Key: VKAOLAKWGBXOCQ-UHFFFAOYSA-N
SMILES: c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc(n[nH]3)C4CCCC4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O76039

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BGQ	Download	Experimental	e4bgqA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot