Ligand name: RU90395
PDB ligand accession: 903
DrugBank: DB02432
PubChem: 447522
ChEMBL: CHEMBL357488
InChI Key: RLLAUERCSKPFGD-VMPREFPWSA-N
SMILES: COC(=O)C1=C(C=CC(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(CC3=CC=C(C=C3)C3=CC=CC=C3)C2=O)=C1)C(F)(C(O)=O)C(O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P12931

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	203	Acetylation		PyMOL_RFAA
THR	182	Phosphorylation		PyMOL_RFAA
THR	183	Phosphorylation		PyMOL_RFAA
TYR	187	Phosphorylation			PyMOL_Chai1
TYR	216	Phosphorylation			PyMOL_Chai1
SER	180	Phosphorylation		PyMOL_RFAA
SER	190	Phosphorylation		PyMOL_RFAA
THR	218	Phosphorylation		PyMOL_RFAA
SER	219	Phosphorylation		PyMOL_RFAA
LYS	184	Ubiquitination