PDB ligand accession: NPV
DrugBank: DB08299
PubChem:
ChEMBL:
InChI Key: QTNUWEKKZHSUQO-UHFFFAOYSA-N
SMILES: OC(=O)C1=CC=C(C=C1)C1=NC(C2=CC=CC(=C2)[N+]([O-])=O)=C2N=CC=CC2=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 521 | Acetylation | PyMOL_RFAA | ||
SER | 610 | Phosphorylation | PyMOL_RFAA | ||
TYR | 652 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |