PDB ligand accession: 279
DrugBank: DB06940
PubChem:
ChEMBL:
InChI Key: ZZTMFGIGOADCFX-UHFFFAOYSA-N
SMILES: CCNC(=O)C1=CN2N=CN=C(NC3=CC(=CC=C3C)C(=O)NOC)C2=C1C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
TYR | 323 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA |