PDB ligand accession: LIT
DrugBank: DB08098
PubChem:
ChEMBL: n/a
InChI Key: ITBNJCVIFHSKRL-UHFFFAOYSA-N
SMILES: OC(=O)CSC1=NN=C(O1)C1=CC=C(O1)[N+]([O-])=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 308 | Acetylation | PyMOL_Chai1 | ||
LYS | 22 | Acetylation | PyMOL_RFAA | ||
CYS | 299 | Glutathionylation | PyMOL_RFAA | ||
THR | 20 | Phosphorylation | PyMOL_RFAA | ||
TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
SER | 77 | Phosphorylation | PyMOL_RFAA | ||
SER | 211 | Phosphorylation | PyMOL_RFAA | ||
SER | 215 | Phosphorylation | PyMOL_RFAA | ||
TYR | 210 | Phosphorylation | PyMOL_Chai1 | ||
SER | 303 | Phosphorylation | PyMOL_RFAA | ||
THR | 305 | Phosphorylation | PyMOL_RFAA | ||
SER | 306 | Phosphorylation | PyMOL_RFAA | ||
CYS | 299 | S-nitrosylation | PyMOL_RFAA | ||
CYS | 304 | S-nitrosylation | PyMOL_RFAA |