Ligand name: (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one
PDB ligand accession: 2YQ
DrugBank: DB11760
PubChem: 135565082
ChEMBL: CHEMBL3137320
InChI Key: HWGQMRYQVZSGDQ-HZPDHXFCSA-N
SMILES: Cn1c(ncn1)C2C(Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Phenylquinolines

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
4UND	Download	Experimental	e4undA1 e4undA2 e4undB1 e4undB2	Domain of poly(ADP-ribose) polymerase ADP-ribosylation ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot
4PJT	Download	Experimental	e4pjtA1 e4pjtA2 e4pjtB1 e4pjtB2 e4pjtC1 e4pjtC2 e4pjtD1 e4pjtD2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase ADP-ribosylation Domain of poly(ADP-ribose) polymerase	LigPlot
7KK3	Download	Experimental	e7kk3A1 e7kk3A2 e7kk3B1 e7kk3B2 e7kk3C1 e7kk3C2 e7kk3D1 e7kk3D2	Domain of poly(ADP-ribose) polymerase ADP-ribosylation 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