PDB ligand accession: HPA
DrugBank: DB04076
PubChem: 790;5274269;135398638;
ChEMBL:
InChI Key: FDGQSTZJBFJUBT-UHFFFAOYSA-N
SMILES: O=C1N=CNC2=C1NC=N2
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 |