PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL:
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: OS(=O)(=O)CCN1CCOCC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 189 | Acetylation | PyMOL_RFAA | ||
LYS | 191 | Acetylation | PyMOL_RFAA | ||
TYR | 4 | Phosphorylation | PyMOL_Chai1 | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 196 | Phosphorylation | PyMOL_RFAA | ||
TYR | 199 | Phosphorylation | PyMOL_Chai1 | ||
THR | 5 | Phosphorylation | PyMOL_RFAA | ||
MET | 20 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 191 | Ubiquitination | |||
TYR | 80 | Phosphorylation | PyMOL_Chai1 | ||
THR | 68 | Phosphorylation | PyMOL_RFAA | ||
LYS | 82 | Ubiquitination | |||
LYS | 128 | Acetylation | PyMOL_RFAA | ||
LYS | 128 | Ubiquitination | |||
TYR | 8 | Phosphorylation | PyMOL_Chai1 | ||
THR | 38 | Phosphorylation | PyMOL_RFAA | ||
TYR | 50 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 109 | Phosphorylation | PyMOL_Chai1 | ||
THR | 35 | Phosphorylation | PyMOL_RFAA | ||
LYS | 103 | Acetylation | PyMOL_RFAA | ||
LYS | 121 | Acetylation | PyMOL_RFAA | ||
LYS | 121 | Ubiquitination |