PDB ligand accession: 1N1
DrugBank: DB01254
PubChem:
ChEMBL:
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 222 | Acetylation | PyMOL_RFAA | ||
TYR | 263 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 277 | Phosphorylation | PyMOL_Chai1 | ||
THR | 266 | Phosphorylation | PyMOL_RFAA | ||
TYR | 268 | Phosphorylation | PyMOL_Chai1 | ||
THR | 200 | Phosphorylation | PyMOL_RFAA | ||
SER | 273 | Phosphorylation | PyMOL_RFAA | ||
MET | 210 | Sulfoxidation | PyMOL_RFAA |