Ligand name: (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
PDB ligand accession: L4Y
DrugBank: n/a
PubChem: 124178682
ChEMBL: CHEMBL4788837
InChI Key: LOTYATKNTZKNHI-RISCZKNCSA-N
SMILES: CC1CCc2c(c([nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q13546

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NW2	Download	Experimental	e6nw2A1 e6nw2B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot