PDB ligand accession: TBU
DrugBank: DB03900
PubChem:
ChEMBL:
InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N
SMILES: CC(C)(C)O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| CYS | 436 | S-nitrosylation | PyMOL_RFAA | ||
| MET | 378 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 384 | Sulfoxidation | PyMOL_RFAA | ||
| CYS | 263 | Glutathionylation | PyMOL_RFAA | ||
| LYS | 281 | Ubiquitination |