Ligand name: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
PDB ligand accession: XR1
DrugBank: n/a
PubChem: 70934541
ChEMBL: CHEMBL3609327
InChI Key: DHUJCQOUWQMVCG-UHFFFAOYSA-N
SMILES: CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13153

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EQC	Download	Experimental	e4eqcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot