Ligand name: N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
PDB ligand accession: 5CB
DrugBank: DB07165
PubChem: 46937056
ChEMBL: n/a
InChI Key: SOBGXPPOYFFGTK-UGKGYDQZSA-N
SMILES: [H][C@@]1(Cl)CN=C(NCCC2=NC=CC=C2)[C@]([H])(O)N1CC(=O)NCC1=CSC2=CC=C(Cl)C=C12
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	599	Acetylation			PyMOL_Chai1
SER	539	Phosphorylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1