Ligand name: 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
PDB ligand accession: HMD
DrugBank: DB02950
PubChem: 17754027;139031112;
ChEMBL: n/a
InChI Key: QPCBNXNDVYOBIP-WHFBIAKZSA-N
SMILES: C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1DM2	Download	Experimental	e1dm2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot