PDB ligand accession: NAI
DrugBank: DB00157
PubChem:
ChEMBL:
InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N
SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 226 | Acetylation | PyMOL_RFAA | ||
| LYS | 228 | Acetylation | PyMOL_RFAA | ||
| LYS | 315 | Acetylation | PyMOL_RFAA | ||
| LYS | 366 | Acetylation | PyMOL_RFAA | ||
| LYS | 366 | Malonylation | PyMOL_RFAA | ||
| THR | 347 | Phosphorylation | PyMOL_RFAA | ||
| SER | 177 | Phosphorylation | PyMOL_RFAA | ||
| THR | 178 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 180 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 186 | Phosphorylation | PyMOL_RFAA | ||
| SER | 364 | Phosphorylation | PyMOL_RFAA | ||
| SER | 367 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 93 | Phosphorylation | PyMOL_Chai1 | ||
| MET | 362 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 366 | Ubiquitination | |||
| THR | 310 | Phosphorylation | PyMOL_RFAA |