PDB ligand accession: BCE
DrugBank: DB07443
PubChem:
ChEMBL:
InChI Key: MUVPBAIVOHJDOC-VBKFSLOCSA-N
SMILES: C\C(O)=C(/C#N)C(=O)NC1=CC=C(C=C1)C1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 99 | Acetylation | PyMOL_RFAA | ||
LYS | 99 | Ubiquitination |