Ligand name: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
PDB ligand accession: P16
DrugBank: DB08339
PubChem: 447700
ChEMBL: CHEMBL327127
InChI Key: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
SMILES: CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P00519

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2G2H	Download	Experimental	e2g2hA1 e2g2hB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2FO0	Download	Experimental	e2fo0A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
1OPL	Download	Experimental	e1oplA3 e1oplB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot