PDB ligand accession: BFI
DrugBank: DB07450
PubChem:
ChEMBL:
InChI Key: BMHZAHGTGIZZCT-LJQANCHMSA-N
SMILES: [H]N1C(=O)C[C@@]2(C1=O)C(=O)N(CC1=C(F)C=C(Br)C=C1)C(=O)C1=C2C=C(F)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 263 | Acetylation | PyMOL_RFAA | ||
| LYS | 308 | 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 | ||
| SER | 306 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 299 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 304 | S-nitrosylation | PyMOL_RFAA | ||
| LYS | 263 | Ubiquitination |