PDB ligand accession: DTC
DrugBank: DB04392
PubChem:
ChEMBL: n/a
InChI Key: HIZKPJUTKKJDGA-BETUJISGSA-N
SMILES: [H][C@@]1(C[C@@]2([H])C(=O)OC3=C(C=CC=C3)C2=O)C(=O)OC2=CC=CC=C2C1=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 68 | Phosphorylation | PyMOL_Chai1 | ||
SER | 174 | Phosphorylation | PyMOL_RFAA | ||
SER | 72 | Phosphorylation | PyMOL_RFAA | ||
THR | 196 | Phosphorylation | PyMOL_RFAA | ||
TYR | 191 | Phosphorylation | PyMOL_Chai1 | ||
SER | 192 | Phosphorylation | PyMOL_RFAA | ||
THR | 190 | Phosphorylation | PyMOL_RFAA | ||
LYS | 61 | Acetylation | PyMOL_RFAA | ||
LYS | 61 | Ubiquitination |