Ligand name: Rucaparib
PDB ligand accession: RPB
DrugBank: DB12332
PubChem: 9931954
ChEMBL: CHEMBL1173055
InChI Key: HMABYWSNWIZPAG-UHFFFAOYSA-N
SMILES: CNCC1=CC=C(C=C1)C1=C2CCNC(=O)C3=C2C(N1)=CC(F)=C3
Drug action: n/a

List of small molecule binding-associated PTMs for P09874

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
ARG 878 Methylation PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA
SER 864 Phosphorylation PyMOL_RFAA
SER 757 Phosphorylation PyMOL_RFAA
MET 900 Sulfoxidation PyMOL_RFAA