Ligand name: 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium
PDB ligand accession: 571
DrugBank: n/a
PubChem: 49866522
ChEMBL: n/a
InChI Key: FCLFBDYOCRVSHV-JOCHJYFZSA-O
SMILES: CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)C(c5ccccc5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q9UM73

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XBA	Download	Experimental	e2xbaA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot