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 |
|---|---|---|---|---|---|
| CYS | 89 | Glutathionylation | PyMOL_RFAA | ||
| SER | 33 | O-linked_glycosylation | |||
| SER | 276 | O-linked_glycosylation | |||
| SER | 33 | Phosphorylation | PyMOL_RFAA | ||
| SER | 41 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 56 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 61 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 80 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 170 | Phosphorylation | PyMOL_RFAA | ||
| THR | 171 | Phosphorylation | PyMOL_RFAA | ||
| THR | 235 | Phosphorylation | PyMOL_RFAA | ||
| SER | 246 | Phosphorylation | PyMOL_RFAA | ||
| THR | 248 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 253 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 276 | Phosphorylation | PyMOL_RFAA | ||
| SER | 250 | Phosphorylation | PyMOL_RFAA | ||
| MET | 251 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 241 | Ubiquitination |