Ligand name: Niraparib
PDB ligand accession: 3JD
DrugBank: DB11793
InChI Key: PCHKPVIQAHNQLW-CQSZACIVSA-N
SMILES: c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)C4CCCNC4
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q9UGN5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9UGN5	Download	Predicted	Q9UGN5_F1_nD3 Q9UGN5_F1_nD2	ADP-ribosylation Domain of poly(ADP-ribose) polymerase
3KCZ		Predicted	e3kczA1 e3kczB1 e3kczA2 e3kczB2
3KJD		Predicted	e3kjdA1 e3kjdB1 e3kjdA2 e3kjdB2
4PJV		Predicted	e4pjvA2 e4pjvB2 e4pjvA1 e4pjvB1
4TVJ		Predicted	e4tvjA2 e4tvjB2 e4tvjA1 e4tvjB1
4ZZX		Predicted	e4zzxA1 e4zzxB2 e4zzxA2 e4zzxB1
4ZZY		Predicted	e4zzyA2 e4zzyA1
5DSY		Predicted	e5dsyB1 e5dsyA1 e5dsyC1 e5dsyD1
6F1K		Predicted	e6f1kA1
6F5B		Predicted	e6f5bA1 e6f5bB1
6F5F		Predicted	e6f5fA1 e6f5fB1 e6f5fC1 e6f5fD1