PDB ligand accession: 19A
DrugBank: DB06877
PubChem:
ChEMBL:
InChI Key: OPBUUQBZKJSWTN-UHFFFAOYSA-N
SMILES: CN(C)C(=O)C1=CC(=CN1)C1=NNC=C1C1=CC=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 29 | Phosphorylation | PyMOL_RFAA | ||
SER | 41 | Phosphorylation | PyMOL_RFAA | ||
CYS | 166 | S-nitrosylation | PyMOL_RFAA |