Ligand name: 5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
PDB ligand accession: DD2
DrugBank: DB07643
PubChem: 24978486
ChEMBL: CHEMBL1232147
InChI Key: XVLUVRFYGVJKGJ-UHFFFAOYSA-N
SMILES: NC1=NC2=C(C(N)=N1)C(OCC1CCN(CC3=C(Cl)C(Cl)=CC=C3)CC1)=CC=C2
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