Ligand name: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide
PDB ligand accession: 22U
DrugBank: DB06919
PubChem: 25011732
ChEMBL: CHEMBL321130
InChI Key: CJHLRGCXPGIPCB-MOPGFXCFSA-N
SMILES: [H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
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
THR	540	Phosphorylation			PyMOL_Chai1