Ligand name: 3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid [4-(Thiazol-2-Ylsulfamoyl)-Phenyl]-Amide
PDB ligand accession: FRJ
DrugBank: DB03311
PubChem: 448662
ChEMBL: CHEMBL1232829
InChI Key: SXKBTDJJEQQEGE-UHFFFAOYSA-N
SMILES: CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=C(O1)C=C(C=C2)S(=O)(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
Drug action: n/a

List of small molecule binding-associated PTMs for P18031

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
MET	1	Acetylation		PyMOL_RFAA
TYR	152	Phosphorylation			PyMOL_Chai1
TYR	153	Phosphorylation			PyMOL_Chai1
TYR	271	Phosphorylation			PyMOL_Chai1
SER	201	Phosphorylation		PyMOL_RFAA
SER	286	Phosphorylation		PyMOL_RFAA
SER	285	Phosphorylation		PyMOL_RFAA