PDB ligand accession: NIO
DrugBank: DB00627
PubChem: 938;117629482;
ChEMBL:
InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES: OC(=O)C1=CN=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 171 | Acetylation | PyMOL_RFAA | ||
ARG | 161 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
SER | 159 | Phosphorylation | PyMOL_RFAA |