PDB ligand accession: BEK
DrugBank: DB01827
PubChem:
ChEMBL: n/a
InChI Key: JTXPTSGPUNTKSM-UHFFFAOYSA-N
SMILES: COC1=C(F)C(F)=C(C(N)=O)C(F)=C1F
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 176 | Acetylation | PyMOL_RFAA | ||
LYS | 176 | Malonylation | PyMOL_RFAA |