Ligand name: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
PDB ligand accession: N22
DrugBank: DB08234
PubChem: 25058133
ChEMBL: CHEMBL485961
InChI Key: NNFDQABYXZBKRK-UHFFFAOYSA-N
SMILES: CCC1=NC(N)=NC(N)=C1C#CCC1=CC(OC)=CC=C1OC
Drug action: n/a

List of small molecule binding-associated PTMs for P00374

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	55	Acetylation		PyMOL_RFAA
LYS	64	Acetylation		PyMOL_RFAA
THR	39	Phosphorylation		PyMOL_RFAA
TYR	178	Phosphorylation			PyMOL_Chai1
LYS	179	Ubiquitination