Ligand name: H-89
PDB ligand accession: IQB
DrugBank: DB07995
PubChem: 449241
ChEMBL: CHEMBL104264
InChI Key: ZKZXNDJNWUTGDK-NSCUHMNNSA-N
SMILES: BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P17612

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	49	Phosphorylation		PyMOL_RFAA
THR	52	Phosphorylation		PyMOL_RFAA
SER	54	Phosphorylation		PyMOL_RFAA
THR	89	Phosphorylation		PyMOL_RFAA
THR	202	Phosphorylation		PyMOL_RFAA
TYR	331	Phosphorylation			PyMOL_Chai1
THR	325	Phosphorylation		PyMOL_RFAA