PDB ligand accession: 7DE
DrugBank: DB01959
PubChem:
ChEMBL:
InChI Key: MSYGAHOHLUJIKV-UHFFFAOYSA-N
SMILES: CCOC(=O)C1=C(C)N(N=C1C)C1=CC(=CC=C1)[N+]([O-])=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 521 | Acetylation | PyMOL_RFAA | ||
SER | 601 | Phosphorylation | PyMOL_RFAA | ||
SER | 610 | Phosphorylation | PyMOL_RFAA | ||
TYR | 652 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |