PDB ligand accession: 20A
DrugBank: DB06909
PubChem:
ChEMBL:
InChI Key: QZGJNFBMYYEFGM-UHFFFAOYSA-N
SMILES: CCN1N=CC2=C1N=CC(C(=O)NCC1=CC=CC=C1)=C2NC1CCOCC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 521 | Acetylation | PyMOL_RFAA | ||
| SER | 601 | Phosphorylation | PyMOL_RFAA | ||
| SER | 610 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 652 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |