PDB ligand accession: TCW
DrugBank: DB00323
PubChem:
ChEMBL:
InChI Key: MIQPIUSUKVNLNT-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1)C(=O)C1=CC(=C(O)C(O)=C1)[N+]([O-])=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
CYS | 119 | Glutathionylation | PyMOL_RFAA | ||
CYS | 223 | Glutathionylation | PyMOL_RFAA | ||
TYR | 250 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 197 | Phosphorylation | PyMOL_Chai1 | ||
MET | 90 | Sulfoxidation | PyMOL_RFAA |