Ligand name: 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PDB ligand accession: CQW
DrugBank: DB07585
PubChem: 24798742
ChEMBL: CHEMBL259833
InChI Key: YFFJXGRXFASBDL-UHFFFAOYSA-N
SMILES: ClC1=CNC2=C1C(=NC=N2)N1CCC2=C(C1)N=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
TYR	176	Phosphorylation			PyMOL_Chai1
THR	211	Phosphorylation		PyMOL_RFAA
THR	291	Phosphorylation		PyMOL_RFAA
TYR	437	Phosphorylation			PyMOL_Chai1
THR	443	Phosphorylation		PyMOL_RFAA
CYS	224	S-nitrosylation		PyMOL_RFAA
LYS	276	Ubiquitination
LYS	284	Ubiquitination
THR	7	Phosphorylation
SER	9	Phosphorylation