Ligand name: [2,4,6-Triisopropyl-Phenylsulfonyl-L-[3-Amidino-Phenylalanine]]-Piperazine-N'-Beta-Alanine
PDB ligand accession: UKP
DrugBank: DB04172
PubChem: 5289531
ChEMBL: CHEMBL212616
InChI Key: WATXEHGLYJKXOF-NDEPHWFRSA-N
SMILES: [H][C@@](CC1=CC(=CC=C1)C(N)=N)(NS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)C(=O)CCN
Drug action: n/a

List of small molecule binding-associated PTMs for P00749

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
ASN	322	N-linked_glycosylation
SER	323	Phosphorylation			PyMOL_Chai1
THR	316	Phosphorylation			PyMOL_Chai1
THR	324	Phosphorylation			PyMOL_Chai1
TYR	326	Phosphorylation			PyMOL_Chai1
TYR	328	Phosphorylation			PyMOL_Chai1
THR	335	Phosphorylation			PyMOL_Chai1
SER	395	Phosphorylation			PyMOL_Chai1