PDB ligand accession: A19
DrugBank: DB07309
PubChem:
ChEMBL:
InChI Key: JDVLYAYDIMUAAC-UHFFFAOYSA-N
SMILES: OC(=O)C1=C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C=CC(Br)=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 | 455 | Phosphorylation | PyMOL_RFAA | ||
THR | 461 | Phosphorylation | PyMOL_RFAA | ||
CYS | 448 | S-nitrosylation | PyMOL_RFAA | ||
MET | 384 | Sulfoxidation | PyMOL_RFAA |