PDB ligand accession: CK9
DrugBank: DB04662
PubChem:
ChEMBL:
InChI Key: NDUVSANREQEDRE-CQSZACIVSA-N
SMILES: [H][C@@](CC)(CO)NC1=NC2=C(N=CN2C(C)C)C(NCC2=CC=CC=C2O)=N1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 33 | Acetylation | PyMOL_RFAA | ||
| LYS | 9 | Acetylation | PyMOL_RFAA | ||
| LYS | 20 | Acetylation | PyMOL_RFAA | ||
| THR | 14 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 15 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 158 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 159 | Phosphorylation | PyMOL_Chai1 | ||
| LYS | 9 | Ubiquitination | |||
| LYS | 20 | Ubiquitination | |||
| LYS | 33 | Ubiquitination | |||
| LYS | 129 | Ubiquitination | |||
| LYS | 142 | Ubiquitination |