Ligand name: Ibrutinib
PDB ligand accession: 1E8
DrugBank: DB09053
PubChem: 24821094
ChEMBL: CHEMBL1873475
InChI Key: XYFPWWZEPKGCCK-GOSISDBHSA-N
SMILES: NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for Q06187

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	543	Phosphorylation		PyMOL_RFAA
LYS	406	Ubiquitination
LYS	536	Ubiquitination