Ligand name: N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
PDB ligand accession: 796
DrugBank: DB07235
PubChem: 16043304
ChEMBL: CHEMBL213618
InChI Key: HHOVRZGUSBMKKU-ZDUSSCGKSA-N
SMILES: [H][C@@](CN)(CC1=C(Cl)C=C(Cl)C=C1)NC(=O)C1=CC=C(S1)C1=CC=NC(NC)=N1
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
SER	326	Phosphorylation		PyMOL_RFAA