PDB ligand accession: A41
DrugBank: DB07313
PubChem:
ChEMBL:
InChI Key: HXQLTRSIZRSFTR-UHFFFAOYSA-N
SMILES: CC1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C(=C1)C(O)=O
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 | ||
| CYS | 448 | S-nitrosylation | PyMOL_RFAA | ||
| MET | 384 | Sulfoxidation | PyMOL_RFAA |