Ligand name: 1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE
PDB ligand accession: RA8
DrugBank: DB04772
PubChem: 5494440
ChEMBL: n/a
InChI Key: DSVCYWOHJLRGMK-PMACEKPBSA-N
SMILES: CC(C)C[C@H](NS(=O)(=O)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)NCCCCN=C(N)N
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
SER 539 Phosphorylation PyMOL_Chai1
THR 540 Phosphorylation PyMOL_Chai1