Ligand name: 5-{[1-(2-fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
PDB ligand accession: DD1
DrugBank: DB07642
PubChem: 23729147
ChEMBL: CHEMBL251429
InChI Key: GYKIQIOWVKCVBP-UHFFFAOYSA-N
SMILES: NC1=NC2=CC=CC(OCC3CCN(CC4=CC=CC=C4F)CC3)=C2C(N)=N1
Drug action: n/a

List of small molecule binding-associated PTMs for Q96C86

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	128	Acetylation		PyMOL_RFAA
LYS	138	Acetylation		PyMOL_RFAA
LYS	142	Acetylation		PyMOL_RFAA
LYS	128	Ubiquitination
LYS	138	Ubiquitination
LYS	142	Ubiquitination