Ligand name: 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
PDB ligand accession: ATU
DrugBank: DB04014
PubChem: 5005498
ChEMBL: CHEMBL50894
InChI Key: OLUKILHGKRVDCT-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q3W	Download	Experimental	e1q3wA1 e1q3wB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot