PDB ligand accession: LOC
DrugBank: DB01394
PubChem:
ChEMBL:
InChI Key: IAKHMKGGTNLKSZ-INIZCTEOSA-N
SMILES: COC1=CC2=C(C(OC)=C1OC)C1=CC=C(OC)C(=O)C=C1[C@H](CC2)NC(C)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| CYS | 239 | Glutathionylation | PyMOL_RFAA | ||
| CYS | 354 | Glutathionylation | PyMOL_RFAA | ||
| ARG | 46 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
| TYR | 50 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 232 | Phosphorylation | PyMOL_RFAA | ||
| SER | 234 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 310 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 312 | Phosphorylation | PyMOL_RFAA | ||
| THR | 237 | Phosphorylation | PyMOL_RFAA | ||
| THR | 238 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 239 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 354 | S-palmitoylation | PyMOL_RFAA | ||
| MET | 330 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 257 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 252 | Ubiquitination | |||
| LYS | 350 | Ubiquitination |