Ligand name: 2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid
PDB ligand accession: 821
DrugBank: DB03104
PubChem: 5287555
ChEMBL: CHEMBL356002
InChI Key: NKMPOVPTYDXGEC-MNRBYUMSSA-N
SMILES: CC(=O)N\C(=C/C1=CC=C(CC(O)=O)C(C=O)=C1)C(=O)N[C@H]1CCCCN(CC2=CC=C(C=C2)C2=CC=CC=C2)C1=O
Drug action: n/a

List of small molecule binding-associated PTMs for P12931

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	203	Acetylation		PyMOL_RFAA
THR	182	Phosphorylation		PyMOL_RFAA
THR	183	Phosphorylation		PyMOL_RFAA
TYR	187	Phosphorylation			PyMOL_Chai1
TYR	216	Phosphorylation			PyMOL_Chai1
SER	180	Phosphorylation		PyMOL_RFAA
SER	190	Phosphorylation		PyMOL_RFAA
THR	218	Phosphorylation		PyMOL_RFAA
SER	219	Phosphorylation		PyMOL_RFAA
LYS	184	Ubiquitination