PDB ligand accession: CPB
DrugBank: DB03496
PubChem:
ChEMBL:
InChI Key: BIIVYFLTOXDAOV-YVEFUNNKSA-N
SMILES: CN1CC[C@@H]([C@H](O)C1)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1Cl
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 35 | Acetylation | PyMOL_RFAA | ||
| LYS | 44 | Acetylation | PyMOL_RFAA | ||
| LYS | 48 | Acetylation | PyMOL_RFAA | ||
| LYS | 49 | Acetylation | PyMOL_RFAA | ||
| LYS | 164 | Acetylation | PyMOL_RFAA | ||
| LYS | 49 | Malonylation | PyMOL_RFAA | ||
| THR | 29 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 24 | Ubiquitination | |||
| LYS | 35 | Ubiquitination | |||
| LYS | 151 | Ubiquitination | |||
| LYS | 164 | Ubiquitination | |||
| LYS | 44 | Ubiquitination |