PDB ligand accession: G3D
DrugBank: DB04121
PubChem: 188347;5288326;135415794;
ChEMBL: n/a
InChI Key: HEYSFDAMRDTCJM-UUOKFMHZSA-N
SMILES: NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H]1O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 36 | Acetylation | PyMOL_RFAA | ||
MET | 22 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 127 | Ubiquitination |