Ligand name: N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PDB ligand accession: CQU
DrugBank: DB07584
PubChem: 24798741
ChEMBL: CHEMBL428963
InChI Key: OKGCSZUKOGMZAL-UHFFFAOYSA-N
SMILES: CC1=NN=C(N1)C1=CC=CC=C1NC1=NC=NC2=C1C=CN2
Drug action: n/a

List of small molecule binding-associated PTMs for P31749

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
THR	312	O-linked_glycosylation
TYR	176	Phosphorylation			PyMOL_Chai1
THR	211	Phosphorylation		PyMOL_RFAA
THR	291	Phosphorylation		PyMOL_RFAA
THR	312	Phosphorylation		PyMOL_RFAA
TYR	437	Phosphorylation			PyMOL_Chai1
THR	443	Phosphorylation		PyMOL_RFAA
LYS	276	Ubiquitination
LYS	284	Ubiquitination
THR	7	Phosphorylation
THR	8	Phosphorylation
SER	9	Phosphorylation