PDB ligand accession: AO5
DrugBank: DB07377
PubChem:
ChEMBL:
InChI Key: BYBVYIPUGPZRSX-OLZOCXBDSA-N
SMILES: [H][C@@](N)(CCSC(C)C)[C@]([H])(O)C(=O)NNC(=O)C1=CC(Cl)=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 385 | Acetylation | PyMOL_RFAA | ||
CYS | 263 | Glutathionylation | PyMOL_RFAA | ||
THR | 461 | Phosphorylation | PyMOL_RFAA | ||
MET | 384 | Sulfoxidation | PyMOL_RFAA |