PDB ligand accession: 62P
DrugBank: DB07187
PubChem:
ChEMBL:
InChI Key: FXFPQPNUMWQRAO-UHFFFAOYSA-N
SMILES: CC1=C(OC2=CC=C(Cl)C=C12)S(=O)(=O)C1=NNC(=O)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 308 | Acetylation | PyMOL_RFAA | ||
| LYS | 22 | Acetylation | PyMOL_RFAA | ||
| CYS | 299 | Glutathionylation | PyMOL_RFAA | ||
| THR | 20 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 77 | Phosphorylation | PyMOL_RFAA | ||
| SER | 211 | Phosphorylation | PyMOL_RFAA | ||
| SER | 215 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 210 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 303 | Phosphorylation | PyMOL_RFAA | ||
| THR | 305 | Phosphorylation | PyMOL_RFAA | ||
| SER | 306 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 299 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 304 | S-nitrosylation | PyMOL_RFAA |