PDB ligand accession: GUN
DrugBank: DB02377
PubChem: 764;5274253;135398634;
ChEMBL:
InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N
SMILES: NC1=NC(=O)C2=C(N1)N=CN2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 254 | Acetylation | PyMOL_RFAA | ||
| CYS | 206 | Glutathionylation | PyMOL_RFAA | ||
| SER | 33 | Phosphorylation | PyMOL_RFAA | ||
| THR | 242 | Phosphorylation | PyMOL_RFAA | ||
| SER | 220 | Phosphorylation | PyMOL_RFAA | ||
| SER | 239 | Phosphorylation | PyMOL_RFAA | ||
| MET | 219 | Sulfoxidation | PyMOL_RFAA | ||
| SER | 163 | Phosphorylation | PyMOL_RFAA | ||
| MET | 247 | Sulfoxidation | PyMOL_RFAA |