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 | 107 | Acetylation | PyMOL_RFAA | ||
| LYS | 339 | Acetylation | PyMOL_RFAA | ||
| LYS | 107 | Malonylation | PyMOL_RFAA | ||
| SER | 40 | Phosphorylation | PyMOL_RFAA | ||
| SER | 88 | Phosphorylation | PyMOL_RFAA | ||
| THR | 91 | Phosphorylation | PyMOL_RFAA | ||
| SER | 275 | Phosphorylation | PyMOL_RFAA | ||
| THR | 93 | Phosphorylation | PyMOL_RFAA | ||
| SER | 130 | Phosphorylation | PyMOL_RFAA | ||
| THR | 131 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 107 | Ubiquitination | |||
| LYS | 129 | Ubiquitination | |||
| LYS | 339 | Ubiquitination | |||
| THR | 95 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 94 | Ubiquitination |