PDB ligand accession: 3DG
DrugBank: DB03609
PubChem: 165138;5287497;135440068;
ChEMBL:
InChI Key: OROIAVZITJBGSM-OBXARNEKSA-N
SMILES: [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](CO)C[C@H]1O
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 | ||
MET | 247 | Sulfoxidation | PyMOL_RFAA |