PDB ligand accession: XX4
DrugBank: DB08749
PubChem:
ChEMBL:
InChI Key: KTRFBFMYAJOXLG-UHFFFAOYSA-N
SMILES: CN(C1CCCCC1)C(=O)CCN1CC2=CC(=CC=C2N=C1N)C(=O)C1=CC=CC=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 136 | Acetylation | PyMOL_Chai1 | ||
| LYS | 285 | Acetylation | PyMOL_Chai1 | ||
| TYR | 259 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 290 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 292 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 293 | Phosphorylation | PyMOL_Chai1 | ||
| LYS | 285 | Ubiquitination |