PDB ligand accession: AES
DrugBank: DB07347
PubChem:
ChEMBL:
InChI Key: MGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES: NCCC1=CC=C(C=C1)S(F)(=O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 186 | Acetylation | PyMOL_RFAA | ||
| ASN | 9 | Deamidation | |||
| ASN | 316 | Deamidation | |||
| SER | 98 | Phosphorylation | PyMOL_RFAA | ||
| THR | 99 | Phosphorylation | PyMOL_RFAA | ||
| THR | 103 | Phosphorylation | PyMOL_RFAA | ||
| SER | 122 | Phosphorylation | PyMOL_RFAA | ||
| SER | 151 | Phosphorylation | PyMOL_RFAA | ||
| THR | 153 | Phosphorylation | PyMOL_RFAA | ||
| THR | 177 | Phosphorylation | PyMOL_RFAA | ||
| THR | 182 | Phosphorylation | PyMOL_RFAA | ||
| THR | 184 | Phosphorylation | PyMOL_RFAA | ||
| SER | 192 | Phosphorylation | PyMOL_RFAA | ||
| SER | 210 | Phosphorylation | PyMOL_RFAA | ||
| THR | 211 | Phosphorylation | PyMOL_RFAA | ||
| SER | 241 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 314 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 320 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 152 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 152 | S-palmitoylation | PyMOL_RFAA | ||
| LYS | 186 | Sumoylation | |||
| LYS | 186 | Ubiquitination |