PDB ligand accession: FID
DrugBank: DB02021
PubChem:
ChEMBL:
InChI Key: WAAPEIZFCHNLKK-UFBFGSQYSA-N
SMILES: NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 263 | Acetylation | PyMOL_RFAA | ||
| LYS | 22 | Acetylation | PyMOL_RFAA | ||
| CYS | 299 | Glutathionylation | PyMOL_RFAA | ||
| LYS | 263 | Malonylation | PyMOL_RFAA | ||
| THR | 20 | Phosphorylation | PyMOL_RFAA | ||
| SER | 23 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
| 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 | ||
| CYS | 299 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 304 | S-nitrosylation | PyMOL_RFAA | ||
| LYS | 263 | Ubiquitination | |||
| SER | 77 | Phosphorylation | PyMOL_RFAA |