PDB ligand accession: KSM
DrugBank: DB08057
PubChem:
ChEMBL: n/a
InChI Key: VWJPPYCULHDHBB-HNNXBMFYSA-N
SMILES: [H][C@]1(C)CN(CCN1)C1=CC=C2N=C(NC3=C(C)C=CC=C3Cl)C3=CN=CN3C2=C1
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 | ||
THR | 330 | Phosphorylation | PyMOL_RFAA | ||
SER | 373 | Phosphorylation | PyMOL_RFAA |