PDB ligand accession: 772
DrugBank: DB02762
PubChem:
ChEMBL:
InChI Key: NQLPTOOPFMPCHQ-UHFFFAOYSA-N
SMILES: OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 203 | Acetylation | PyMOL_RFAA | ||
| THR | 182 | Phosphorylation | PyMOL_RFAA | ||
| THR | 183 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 187 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 180 | Phosphorylation | PyMOL_RFAA | ||
| SER | 190 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 184 | Ubiquitination |