PDB ligand accession: 877
DrugBank: DB07272
PubChem:
ChEMBL:
InChI Key: GKODDLYLEKSDJL-UHFFFAOYSA-N
SMILES: CCOC1=NC(NC(=O)CC2=CC(OC)=C(Br)C=C2OC)=CC(N)=C1C#N
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 155 | Phosphorylation | PyMOL_RFAA | ||
CYS | 116 | S-nitrosylation | PyMOL_RFAA |