PDB ligand accession: ELI
DrugBank: DB07714
PubChem:
ChEMBL:
InChI Key: ICGRXHWXPCXIKM-UHFFFAOYSA-N
SMILES: CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 97 | Acetylation | PyMOL_RFAA | ||
LYS | 164 | Acetylation | PyMOL_RFAA | ||
CYS | 107 | Glutathionylation | |||
TYR | 158 | Phosphorylation | PyMOL_Chai1 | ||
THR | 383 | Phosphorylation | PyMOL_RFAA | ||
THR | 101 | Phosphorylation | PyMOL_RFAA | ||
THR | 163 | Phosphorylation | PyMOL_RFAA | ||
SER | 165 | Phosphorylation | PyMOL_Chai1 | ||
CYS | 107 | S-nitrosylation | PyMOL_RFAA | ||
THR | 448 | Phosphorylation | PyMOL_RFAA | ||
THR | 513 | Phosphorylation | PyMOL_RFAA | ||
THR | 520 | Phosphorylation | PyMOL_RFAA |