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 | 127 | Acetylation | PyMOL_RFAA | ||
| LYS | 23 | Acetylation | PyMOL_RFAA | ||
| LYS | 127 | Malonylation | PyMOL_RFAA | ||
| TYR | 50 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 162 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 210 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 211 | Phosphorylation | PyMOL_RFAA | ||
| SER | 215 | Phosphorylation | PyMOL_RFAA | ||
| THR | 304 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 319 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 132 | Phosphorylation | PyMOL_RFAA | ||
| THR | 21 | Phosphorylation | PyMOL_RFAA | ||
| SER | 24 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 298 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 134 | S-nitrosylation | PyMOL_RFAA | ||
| LYS | 23 | Ubiquitination | |||
| LYS | 80 | Ubiquitination | |||
| LYS | 263 | Acetylation | PyMOL_RFAA | ||
| LYS | 263 | Malonylation | PyMOL_RFAA |