Ligand name: 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide
PDB ligand accession: 64U
DrugBank: DB07190
PubChem: 42615254
ChEMBL: CHEMBL1198500
InChI Key: JGFCNVHEEMBVJG-MOPGFXCFSA-N
SMILES: [H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=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 PyMOL_Chai1
THR 540 Phosphorylation PyMOL_Chai1