Ligand name: Niraparib
PDB ligand accession: 3JD
DrugBank: DB11793
PubChem: 24958200
ChEMBL: CHEMBL1094636
InChI Key: PCHKPVIQAHNQLW-CQSZACIVSA-N
SMILES: NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1
Drug action: n/a

List of small molecule binding-associated PTMs for Q9UGN5

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 430 Phosphorylation PyMOL_RFAA
SER 328 Phosphorylation PyMOL_RFAA
TYR 279 Phosphorylation PyMOL_Chai1
TYR 473 Phosphorylation PyMOL_Chai1
LYS 469 Ubiquitination