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 |
---|---|---|---|---|---|
SER | 87 | Phosphorylation | PyMOL_RFAA | ||
SER | 106 | Phosphorylation | PyMOL_RFAA | ||
THR | 173 | Phosphorylation | PyMOL_RFAA | ||
TYR | 171 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 172 | Phosphorylation | PyMOL_Chai1 | ||
SER | 110 | Phosphorylation | PyMOL_RFAA | ||
TYR | 122 | Phosphorylation | PyMOL_Chai1 | ||
THR | 175 | Phosphorylation | PyMOL_RFAA |