Ligand name: [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
PDB ligand accession: REB
DrugBank: n/a
PubChem: 45111332
ChEMBL: CHEMBL1235645
InChI Key: YRRRHSNOXWKVDL-UHFFFAOYSA-N
SMILES: c1cc(ccc1CC#N)Nc2nccc(n2)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 PDB structures and/or AlphaFold models with target protein Q99986

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OP5	Download	Experimental	e3op5A1 e3op5B1 e3op5C1 e3op5D2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot