Ligand name: N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide
PDB ligand accession: 093
DrugBank: DB06836
PubChem: 6852167
ChEMBL: CHEMBL1229535
InChI Key: JFVNFXCESCXMBC-UHFFFAOYSA-N
SMILES: [H]N(CCO)S(=O)(=O)C1=C(Cl)C=CC(=C1)C1=C(C)N=C(S1)N([H])C(C)=O
Drug action: n/a

List of small molecule binding-associated PTMs for Q8NEB9

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	613	Methylation		PyMOL_RFAA PyMOL_RFAA	PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1
TYR	631	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
THR	668	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
TYR	670	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
MET	617	Sulfoxidation		PyMOL_RFAA	PyMOL_Chai1