PDB ligand accession: TDZ
DrugBank: DB08607
PubChem:
ChEMBL: n/a
InChI Key: GXPHKUHSUJUWKP-NTKDMRAZSA-N
SMILES: [H][C@]1(CC2=CC=C(OC[C@@]3(C)CCC4=C(C)C(O)=C(C)C(C)=C4O3)C=C2)SC(=O)NC1=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 100 | Phosphorylation | PyMOL_RFAA | ||
THR | 290 | Phosphorylation | PyMOL_RFAA | ||
THR | 299 | Phosphorylation | PyMOL_RFAA | ||
THR | 301 | Phosphorylation | PyMOL_RFAA | ||
THR | 302 | Phosphorylation | PyMOL_RFAA | ||
SER | 303 | Phosphorylation | PyMOL_RFAA | ||
THR | 304 | Phosphorylation | PyMOL_RFAA | ||
THR | 305 | Phosphorylation | PyMOL_RFAA | ||
CYS | 435 | S-nitrosylation | PyMOL_RFAA |