PDB ligand accession: TQT
DrugBank: DB02559
PubChem:
ChEMBL: n/a
InChI Key: HDQIGGQUKAQTGU-SZTTVXCBSA-N
SMILES: [H][C@@]12CCN(C[C@@]3([H])CC[C@]4([H])N[C@@]([H])(N)N[C@@]([H])(N)[C@]4([H])C3)[C@@]1([H])CCCC2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 55 | Acetylation | PyMOL_RFAA | ||
| LYS | 64 | Acetylation | PyMOL_RFAA | ||
| THR | 39 | Phosphorylation | PyMOL_RFAA | ||
| SER | 12 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 178 | Phosphorylation | PyMOL_Chai1 | ||
| LYS | 179 | Ubiquitination |