PDB ligand accession: 2A6
DrugBank: DB06948
PubChem:
ChEMBL:
InChI Key: XWWRLKIBRPJQJX-UHFFFAOYSA-N
SMILES: C(OC1=C2NC=NC2=NC(NC2=CC=CC=C2)=N1)C1CCCCC1
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 | ||
| LYS | 9 | Ubiquitination | |||
| LYS | 20 | Ubiquitination | |||
| LYS | 33 | Ubiquitination | |||
| LYS | 129 | Ubiquitination | |||
| LYS | 142 | Ubiquitination | |||
| THR | 165 | Phosphorylation | PyMOL_RFAA |