Ligand name: 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
PDB ligand accession: 1J4
DrugBank: n/a
PubChem: 53357478
ChEMBL: CHEMBL2392545
InChI Key: GWRSATNRNFYMDI-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrimidodiazepines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P53350

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4J53	Download	Experimental	e4j53A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot