PDB ligand accession: 3JW
DrugBank: DB11817
PubChem:
ChEMBL:
InChI Key: XUZMWHLSFXCVMG-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)N1CC(CC#N)(C1)N1C=C(C=N1)C1=C2C=CNC2=NC=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 931 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 934 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 936 | Phosphorylation | PyMOL_Chai1 |