PDB ligand accession: 001
DrugBank: DB02888
PubChem:
ChEMBL: n/a
InChI Key: NBYCDVVSYOMFMS-VMPREFPWSA-N
SMILES: COC1=CC(=CC(OC)=C1OC)C(F)(F)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CCCC1=CC=CC=C1)CCCC1=CN=CC=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 35 | Acetylation | PyMOL_RFAA | ||
| LYS | 36 | Acetylation | PyMOL_RFAA | ||
| LYS | 48 | Acetylation | PyMOL_RFAA | ||
| LYS | 53 | Acetylation | PyMOL_RFAA | ||
| CYS | 23 | Glutathionylation | PyMOL_RFAA | ||
| LYS | 48 | Malonylation | PyMOL_RFAA | ||
| LYS | 53 | Malonylation | PyMOL_RFAA | ||
| TYR | 81 | Phosphorylation | PyMOL_Chai1 | ||
| MET | 30 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 53 | Ubiquitination |