Ligand name: Tolcapone
PDB ligand accession: TCW
DrugBank: DB00323
PubChem: 4659569
ChEMBL: CHEMBL1324
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

List of small molecule binding-associated PTMs for P21964

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