PDB ligand accession: 2YQ
DrugBank: DB11760
PubChem:
ChEMBL:
InChI Key: HWGQMRYQVZSGDQ-HZPDHXFCSA-N
SMILES: CN1N=CN=C1[C@@H]1[C@H](NC2=C3C1=NNC(=O)C3=CC(F)=C2)C1=CC=C(F)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
ARG | 878 | Methylation | PyMOL_Chai1 PyMOL_Chai1 | ||
SER | 864 | Phosphorylation | PyMOL_Chai1 | ||
MET | 900 | Sulfoxidation | PyMOL_Chai1 | ||
SER | 757 | Phosphorylation | PyMOL_Chai1 |