Ligand name: Volasertib
PDB ligand accession: IBI
DrugBank: DB12062
PubChem: n/a
ChEMBL: CHEMBL1233528
InChI Key: SXNJFOWDRLKDSF-STROYTFGSA-N
SMILES: CC[C@H]1N(C(C)C)C2=NC(NC3=CC=C(C=C3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)=NC=C2N(C)C1=O
Drug action: n/a

List of small molecule binding-associated PTMs for P53350

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	61	Acetylation		PyMOL_RFAA
SER	137	Phosphorylation		PyMOL_RFAA
LYS	61	Ubiquitination
LYS	66	Ubiquitination
LYS	82	Ubiquitination