Ligand name: 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
PDB ligand accession: UHB
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: QEUOCRGVJJDDTK-VBFAUCSFSA-N
SMILES: c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N)O)O)CNC2=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein Q9H2K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BJ9	Download	Experimental	e4bj9A1 e4bj9B1	ADP-ribosylation ADP-ribosylation	LigPlot
4TK5	Download	Experimental	e4tk5A1 e4tk5B1 e4tk5C1 e4tk5D1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot