Ligand name: Brigatinib
PDB ligand accession: 6GY
DrugBank: DB12267
PubChem: 68165256
ChEMBL: CHEMBL3545311
InChI Key: AILRADAXUVEEIR-UHFFFAOYSA-N
SMILES: COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1)N1CCC(CC1)N1CCN(C)CC1
Drug action: n/a

List of small molecule binding-associated PTMs for P00533

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	852	Malonylation		PyMOL_RFAA
SER	720	Phosphorylation		PyMOL_RFAA
THR	725	Phosphorylation		PyMOL_RFAA
TYR	727	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
CYS	797	S-palmitoylation		PyMOL_RFAA
MET	766	Sulfoxidation		PyMOL_RFAA
LYS	716	Ubiquitination
LYS	728	Ubiquitination
LYS	846	Ubiquitination