PDB ligand accession: 547
DrugBank: DB07146
PubChem:
ChEMBL:
InChI Key: QUIQCYFSBGOBKE-UHFFFAOYSA-N
SMILES: C(CN1CCNCC1)NC1=CC=NC2=C1C(=C(O2)C1=CC=CC=C1)C1=CC=CC=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 273 | Acetylation | PyMOL_RFAA | ||
| SER | 274 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 318 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 323 | Phosphorylation | PyMOL_RFAA | ||
| THR | 330 | Phosphorylation | PyMOL_RFAA | ||
| SER | 373 | Phosphorylation | PyMOL_RFAA |