Ligand name: METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
PDB ligand accession: AAF
DrugBank: DB07328
PubChem: 11840913
ChEMBL: CHEMBL1230763
InChI Key: USDCNOQKDUFKRD-IKGGRYGDSA-N
SMILES: [H][C@]1(CNC(=O)NC2=CC=C(C=C2)C(=O)OC)CC[C@]([H])(N1)C(=O)N1CCC[C@@]1([H])CN
Drug action: n/a

List of small molecule binding-associated PTMs for P27487

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	630	Phosphorylation		PyMOL_RFAA
TYR	631	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1