PDB ligand accession: O16
DrugBank: DB01897
PubChem: 448998;5289059;5326847;6105620;45157700;
ChEMBL: n/a
InChI Key: BEIGFKLRGRRJJA-JLHYYAGUSA-O
SMILES: O=C1NNC(=O)C2=CC(=CC=C12)[N+]1=NC(\C=C\C2=CC=CC=C2)=NN1C1=NC2=C(S1)C=CC=C2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 7 | O-linked_glycosylation | |||
THR | 7 | Phosphorylation | PyMOL_RFAA | ||
TYR | 8 | Phosphorylation | PyMOL_Chai1 |