PDB ligand accession: EAA
DrugBank: DB00903
PubChem:
ChEMBL:
InChI Key: AVOLMBLBETYQHX-UHFFFAOYSA-N
SMILES: CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 103 | Acetylation | PyMOL_RFAA | ||
| LYS | 209 | Acetylation | PyMOL_RFAA | ||
| CYS | 102 | Glutathionylation | PyMOL_RFAA | ||
| LYS | 209 | Methylation | PyMOL_RFAA PyMOL_RFAA | ||
| TYR | 8 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 106 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 109 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 35 | Phosphorylation | PyMOL_RFAA | ||
| SER | 66 | Phosphorylation | PyMOL_RFAA | ||
| THR | 38 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 55 | Acetylation | PyMOL_RFAA | ||
| TYR | 64 | Phosphorylation | PyMOL_Chai1 |