Ligand name: [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
PDB ligand accession: 5CP
DrugBank: DB07168
PubChem: 23624249
ChEMBL: n/a
InChI Key: MFMSRHREFZCFSN-UHFFFAOYSA-N
SMILES: CNC1=NC(NC2=CC=C(CC#N)C=C2)=NC(NC2=NNC(=C2)C2CC2)=C1
Drug action: n/a

List of small molecule binding-associated PTMs for Q13554

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	146	Phosphorylation		PyMOL_RFAA
SER	26	Phosphorylation		PyMOL_RFAA
TYR	40	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1