Ligand name: Tofacitinib
PDB ligand accession: MI1
DrugBank: DB08895
PubChem: 9926791
ChEMBL: CHEMBL221959
InChI Key: UJLAWZDWDVHWOW-YPMHNXCESA-N
SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C1=NC=NC2=C1C=CN2)C(=O)CC#N
Drug action: n/a

List of small molecule binding-associated PTMs for P23458

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 909 Phosphorylation PyMOL_RFAA
SER 961 Phosphorylation PyMOL_RFAA
SER 963 Phosphorylation PyMOL_RFAA