PDB ligand accession: RUT
DrugBank: DB01698
PubChem:
ChEMBL:
InChI Key: IKGXIBQEEMLURG-NVPNHPEKSA-N
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 270 | Acetylation | PyMOL_RFAA | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
SER | 51 | Phosphorylation | PyMOL_RFAA | ||
TYR | 55 | Phosphorylation | PyMOL_Chai1 | ||
THR | 82 | Phosphorylation | PyMOL_RFAA | ||
SER | 83 | Phosphorylation | PyMOL_RFAA | ||
SER | 118 | Phosphorylation | PyMOL_RFAA | ||
SER | 129 | Phosphorylation | PyMOL_RFAA | ||
SER | 166 | Phosphorylation | PyMOL_RFAA | ||
SER | 221 | Phosphorylation | PyMOL_RFAA | ||
TYR | 305 | Phosphorylation | PyMOL_Chai1 | ||
SER | 310 | Phosphorylation | PyMOL_RFAA | ||
TYR | 319 | Phosphorylation | PyMOL_Chai1 | ||
SER | 121 | Phosphorylation | PyMOL_RFAA | ||
THR | 131 | Phosphorylation | PyMOL_RFAA | ||
SER | 217 | Phosphorylation | PyMOL_RFAA | ||
THR | 23 | Phosphorylation | PyMOL_RFAA | ||
SER | 308 | Phosphorylation | PyMOL_RFAA | ||
SER | 313 | Phosphorylation | PyMOL_RFAA | ||
TYR | 317 | Phosphorylation | PyMOL_Chai1 |