Ligand name: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
PDB ligand accession: 45U
DrugBank: DB07088
PubChem: 24963035
ChEMBL: n/a
InChI Key: ZWXWAYUCJVQHOR-KRWDZBQOSA-N
SMILES: [H][C@]1(CCCN1C(=O)COC1CCCC1)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