Ligand name: 4-Oxo-2-Phenylmethanesulfonyl-Octahydro-Pyrrolo[1,2-a]Pyrazine-6-Carboxylic Acid [1-(N-Hydroxycarbamimidoyl)-Piperidin-4-Ylmethyl]-Amide
PDB ligand accession: BLI
DrugBank: DB02723
PubChem: 446573;5326608;5496635;
ChEMBL: CHEMBL18136
InChI Key: DHTSUHWLPAEEQB-OALUTQOASA-N
SMILES: O\N=C(/N)N1CCC(CC1)CNC(=O)[C@@H]1CC[C@H]2CN(CC(=O)N12)S(=O)(=O)CC1=CC=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
THR	540	Phosphorylation