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 |