PDB ligand accession: TOL
DrugBank: DB02383
PubChem:
ChEMBL:
InChI Key: LUBHDINQXIHVLS-UHFFFAOYSA-N
SMILES: COC1=C(C2=CC=CC(C(=S)N(C)CC(O)=O)=C2C=C1)C(F)(F)F
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 22 | Acetylation | PyMOL_RFAA | ||
| THR | 20 | Phosphorylation | PyMOL_RFAA | ||
| SER | 23 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 299 | Glutathionylation | PyMOL_RFAA | ||
| 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 |