Ligand name: 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
PDB ligand accession: 6ZZ
DrugBank: DB11730
PubChem: 44631912
ChEMBL: CHEMBL3545110
InChI Key: RHXHGRAEPCAFML-UHFFFAOYSA-N
SMILES: CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
Drug action: antagonist

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5L2T	Download	Experimental	e5l2tA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot