PDB ligand accession: 242
DrugBank: DB06925
PubChem:
ChEMBL:
InChI Key: YEIASMOUYNOXGA-UHFFFAOYSA-N
SMILES: CC1=CC=C(C=C1C1=CC=C2N=C(N)N=CC2=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F
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 | 313 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 318 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 323 | Phosphorylation | PyMOL_RFAA | ||
| SER | 373 | Phosphorylation | PyMOL_RFAA |