Ligand name: N-cyclopropyl-3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzamide
PDB ligand accession: P37
DrugBank: DB08349
PubChem: 42647297
ChEMBL: CHEMBL559401
InChI Key: WMEYCLAVMZKZCS-UHFFFAOYSA-N
SMILES: CN1C2=C(C=NN2C2=C(F)C=C(F)C=C2)C(NC2=C(C)C=CC(=C2)C(=O)NC2CC2)=CC1=O
Drug action: n/a

List of small molecule binding-associated PTMs for Q16539

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	53	Acetylation		PyMOL_RFAA
SER	28	Phosphorylation		PyMOL_RFAA
SER	32	Phosphorylation		PyMOL_RFAA
TYR	323	Phosphorylation			PyMOL_Chai1
TYR	35	Phosphorylation			PyMOL_Chai1
SER	37	Phosphorylation		PyMOL_RFAA