Ligand name: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
PDB ligand accession: LQQ
DrugBank: DB09073
PubChem: 5330286
ChEMBL: CHEMBL189963
InChI Key: AHJRHEGDXFFMBM-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
Drug action: inhibitor

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
5L2I	Download	Experimental	e5l2iA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2EUF	Download	Experimental	e2eufB1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot