Ligand name: 2-(6-Chloro-3-{[2,2-difluoro-2-(2-pyridinyl)ethyl]amino}-2-oxo-1(2H)-pyrazinyl)-N-[(2-fluoro-6-pyridinyl)methyl]acetamide
PDB ligand accession: CDA
DrugBank: DB07548
PubChem: 447219
ChEMBL: CHEMBL141889
InChI Key: JXHWVKOKYDAROD-UHFFFAOYSA-N
SMILES: [H]N(CC1=C(F)C=CC=N1)C(=O)CN1C(C)=CN=C(N([H])CC(F)(F)C2=CC=CC=N2)C1=O
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	599	Acetylation			PyMOL_Chai1
SER	539	Phosphorylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1