PDB ligand accession: 2DI
DrugBank: DB00900
PubChem: 50599;5273537;135398739;
ChEMBL:
InChI Key: BXZVVICBKDXVGW-NKWVEPMBSA-N
SMILES: OC[C@@H]1CC[C@@H](O1)N1C=NC2=C1NC=NC2=O
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 |