PDB ligand accession: P1E
DrugBank: DB08341
PubChem:
ChEMBL:
InChI Key: CAUFYHKGKDJMQG-HZPDHXFCSA-N
SMILES: [H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 564 | Acetylation | PyMOL_RFAA | ||
| TYR | 440 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| LYS | 564 | Ubiquitination | |||
| LYS | 457 | Ubiquitination |