PDB ligand accession: RDC
DrugBank: DB03758
PubChem:
ChEMBL:
InChI Key: WYZWZEOGROVVHK-GTMNPGAYSA-N
SMILES: C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)CC2=C(Cl)C(O)=CC(O)=C2C(=O)O1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 114 | Acetylation | PyMOL_RFAA | PyMOL_Chai1 | |
| LYS | 161 | Acetylation | PyMOL_Chai1 | ||
| LYS | 168 | Acetylation | PyMOL_Chai1 | ||
| SER | 106 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 109 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 148 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 150 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| THR | 165 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 169 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 171 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 172 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 200 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 201 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 155 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 246 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 248 | Phosphorylation | PyMOL_Chai1 | ||
| LYS | 161 | Succinylation | PyMOL_RFAA | PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 | |
| MET | 154 | Sulfoxidation | PyMOL_Chai1 | ||
| LYS | 114 | Ubiquitination | |||
| LYS | 161 | Ubiquitination | |||
| LYS | 168 | Ubiquitination |