PDB ligand accession: 4DE
DrugBank: DB04469
PubChem:
ChEMBL:
InChI Key: ZDSXCFSUGVAQSB-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C(C)N(N=C1C)C1=CC=C(OC)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| SER | 657 | Phosphorylation | PyMOL_RFAA | ||
| SER | 622 | Phosphorylation | PyMOL_RFAA | ||
| THR | 625 | Phosphorylation | PyMOL_RFAA | ||
| SER | 666 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 708 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |