Ligand name: 6-(2,4-dichlorophenyl)-8-ethyl-2-{[3-fluoro-4-(piperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
PDB ligand accession: 981
DrugBank: n/a
PubChem: 68060125
ChEMBL: CHEMBL3609326
InChI Key: DHKFOIHIUYFSOF-UHFFFAOYSA-N
SMILES: CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl
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 O96013

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VEE	Download	Experimental	e5veeA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot