Ligand name: 1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
PDB ligand accession: 24U
DrugBank: DB06929
PubChem: 25113616
ChEMBL: CHEMBL1198191
InChI Key: RYAZZWWVNUWKNB-AWEZNQCLSA-N
SMILES: [H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)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
THR 540 Phosphorylation PyMOL_Chai1