Ligand name: N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
PDB ligand accession: C4M
DrugBank: DB07527
PubChem: 9543487
ChEMBL: CHEMBL379692
InChI Key: HORGTFOBJRCVMO-ZWKOTPCHSA-N
SMILES: [H][C@](N)(CC1=CC=CC=C1)[C@]([H])(O)CNS(=O)(=O)C1=C(C)C=C(OC)C(C)=C1C
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