Ligand name: (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
PDB ligand accession: RXN
DrugBank: n/a
PubChem: 155289331
ChEMBL: CHEMBL5202859
InChI Key: KIBQDIDFPAQGOU-SFHVURJKSA-N
SMILES: CN1c2ccc(cc2OCC(C1=O)N3CCc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P53667

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ATU	Download	Experimental	e7atuA1 e7atuB1 e7atuC1 e7atuD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot