Ligand name: L-709,587
PDB ligand accession: 587
DrugBank: DB03621
PubChem: 5496872
ChEMBL: n/a
InChI Key: APSPCHLQXFEUHG-CPBVNLROSA-N
SMILES: [H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)[C@]([H])(O)\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(OC2=CC=C3N(C)C=CC3=C2)[C@@]([H])(C1)OC
Drug action: n/a

List of small molecule binding-associated PTMs for P62942

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	36	Acetylation		PyMOL_RFAA
LYS	48	Acetylation		PyMOL_RFAA
LYS	53	Acetylation		PyMOL_RFAA
CYS	23	Glutathionylation		PyMOL_RFAA
LYS	48	Malonylation		PyMOL_RFAA
LYS	53	Malonylation		PyMOL_RFAA
TYR	81	Phosphorylation			PyMOL_Chai1
MET	30	Sulfoxidation		PyMOL_RFAA
LYS	53	Ubiquitination
SER	9	Phosphorylation		PyMOL_RFAA
THR	7	Phosphorylation		PyMOL_RFAA
LYS	35	Acetylation		PyMOL_RFAA