PDB ligand accession: 984
DrugBank: DB03084
PubChem:
ChEMBL:
InChI Key: XCTKFTOEAKJMII-UHFFFAOYSA-N
SMILES: CCCN1C(=NC(=C1C1=CC=NC(NC2CC2)=N1)C1=CC=C(Cl)C(Cl)=C1)C1CCN(C)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 193 | Phosphorylation | PyMOL_RFAA | ||
THR | 221 | Phosphorylation | PyMOL_RFAA | ||
TYR | 223 | Phosphorylation | PyMOL_Chai1 | ||
THR | 226 | Phosphorylation | PyMOL_RFAA | ||
TYR | 143 | Phosphorylation | PyMOL_Chai1 |