PDB ligand accession: 69Q
DrugBank: DB13874
PubChem:
ChEMBL:
InChI Key: DYLUUSLLRIQKOE-UHFFFAOYSA-N
SMILES: CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 166 | Acetylation | PyMOL_RFAA | ||
LYS | 251 | Acetylation | PyMOL_RFAA | ||
LYS | 299 | Acetylation | PyMOL_RFAA | ||
LYS | 166 | Malonylation | PyMOL_RFAA | ||
SER | 301 | Phosphorylation | PyMOL_RFAA | ||
SER | 300 | Phosphorylation | PyMOL_RFAA | ||
MET | 293 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 166 | Ubiquitination |