PDB ligand accession: AO2
DrugBank: DB03086
PubChem:
ChEMBL:
InChI Key: IQMLIGOOOFEBAH-CVEARBPZSA-N
SMILES: [H][C@@](N)(CC1CCCCC1)[C@]([H])(O)C(=O)NNC1=CC=C(C)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 385 | Acetylation | PyMOL_RFAA | ||
| CYS | 263 | Glutathionylation | PyMOL_RFAA | ||
| THR | 461 | Phosphorylation | PyMOL_RFAA | ||
| MET | 384 | Sulfoxidation | PyMOL_RFAA |