Ligand name: methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
PDB ligand accession: L1S
DrugBank: n/a
PubChem: 145865292
ChEMBL: n/a
InChI Key: ASPUHGRKEUIGTD-UHFFFAOYSA-N
SMILES: COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: Phenylbenzimidazoles

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
6VKO	Download	Experimental	e6vkoA1 e6vkoA2 e6vkoB1 e6vkoB2 e6vkoC1 e6vkoC2 e6vkoD1 e6vkoD2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot