PDB ligand accession: 5I5
DrugBank: DB07173
PubChem:
ChEMBL:
InChI Key: NTXUAWGNGBSCRS-TZQXKBMNSA-N
SMILES: [H][C@]1(C)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 77 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 83 | Phosphorylation | PyMOL_RFAA | ||
| SER | 86 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 183 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 312 | Phosphorylation | PyMOL_RFAA | ||
| SER | 82 | Phosphorylation | PyMOL_RFAA |