Ligand name: Rucaparib
PDB ligand accession: RPB
DrugBank: DB12332
PubChem: 9931954
ChEMBL: CHEMBL1173055
InChI Key: HMABYWSNWIZPAG-UHFFFAOYSA-N
SMILES: CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of drug binding-associated PTMs

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
4RV6	Download	Experimental	e4rv6A1 e4rv6A2 e4rv6B1 e4rv6B2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation	LigPlot
6VKK	Download	Experimental	e6vkkA1 e6vkkA2 e6vkkD1 e6vkkD2 e6vkkC1 e6vkkC2 e6vkkB1 e6vkkB2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot