PDB ligand accession: 2QG
DrugBank: DB12980
PubChem:
ChEMBL:
InChI Key: BOIPLTNGIAPDBY-UHFFFAOYSA-N
SMILES: ClC1=CC=C(OCCCCCCN\C(NC#N)=N\C2=CC=NC=C2)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| ARG | 196 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
| TYR | 188 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 241 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 195 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 218 | Phosphorylation | PyMOL_RFAA | ||
| THR | 220 | Phosphorylation | PyMOL_RFAA | ||
| THR | 304 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 189 | Ubiquitination | |||
| LYS | 415 | Acetylation | PyMOL_RFAA | ||
| LYS | 423 | Acetylation | PyMOL_RFAA | ||
| SER | 374 | Phosphorylation | PyMOL_RFAA |