Ligand name: 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide
PDB ligand accession: 1J3
DrugBank: n/a
PubChem: 25253376
ChEMBL: CHEMBL2392544
InChI Key: IVRPFXYSCCXTAK-MUUNZHRXSA-N
SMILES: CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(CC(C(=O)N4C)(C=C)F)C5CCCC5
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
4J52	Download	Experimental	e4j52A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot