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 P09874

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7S6H	Download	Experimental	e7s6hB1 e7s6hB3 e7s6hD1 e7s6hD2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot
6VKQ	Download	Experimental	e6vkqA1 e6vkqA2 e6vkqB1 e6vkqB2 e6vkqC1 e6vkqC2 e6vkqD1 e6vkqD2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot
7AAB	Download	Experimental	e7aabA1 e7aabA2 e7aabB1 e7aabB2	Domain of poly(ADP-ribose) polymerase ADP-ribosylation ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot