Ligand name: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea
PDB ligand accession: 4F2
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3577877
InChI Key: QJPUIIKZKMYPSK-QAQDUYKDSA-N
SMILES: CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridopyrimidines
      • Subclass: Pyrido[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Y46	Download	Experimental	e4y46A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot