PDB ligand accession: APD
DrugBank: DB02685
PubChem: 2761494;6993635;
ChEMBL:
InChI Key: JZRBSTONIYRNRI-VIFPVBQESA-N
SMILES: CC1=CC=CC(C[C@H](N)C(O)=O)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
CYS | 319 | Glutathionylation | |||
CYS | 319 | S-nitrosylation | PyMOL_Chai1 | ||
MET | 274 | Sulfoxidation | PyMOL_Chai1 | ||
MET | 275 | Sulfoxidation | PyMOL_Chai1 |