PDB ligand accession: DB8
DrugBank: DB06616
PubChem:
ChEMBL:
InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: COC1=CC(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C(Cl)C=C1Cl
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 101 | Acetylation | PyMOL_RFAA | ||
| SER | 198 | Phosphorylation | PyMOL_RFAA | ||
| SER | 204 | Phosphorylation | PyMOL_RFAA | ||
| SER | 76 | Phosphorylation | PyMOL_RFAA | ||
| MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 88 | Ubiquitination | |||
| LYS | 101 | Ubiquitination | |||
| LYS | 196 | Ubiquitination | |||
| LYS | 209 | Ubiquitination |