PDB ligand accession: TFP
DrugBank: DB00831
PubChem:
ChEMBL:
InChI Key: ZEWQUBUPAILYHI-UHFFFAOYSA-N
SMILES: CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| SER | 44 | Phosphorylation | PyMOL_RFAA | ||
| MET | 12 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 84 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 85 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 7 | Acetylation | PyMOL_RFAA | ||
| SER | 14 | Phosphorylation | PyMOL_RFAA | ||
| THR | 15 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 7 | Ubiquitination | |||
| LYS | 18 | Acetylation | PyMOL_RFAA | ||
| LYS | 18 | Ubiquitination | |||
| LYS | 48 | Acetylation | PyMOL_RFAA | ||
| LYS | 48 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| LYS | 48 | Ubiquitination | |||
| LYS | 26 | Acetylation | PyMOL_RFAA | ||
| LYS | 57 | Acetylation | PyMOL_RFAA | ||
| LYS | 57 | Ubiquitination |