PDB ligand accession: 3FN
DrugBank: DB06518
PubChem:
ChEMBL:
InChI Key: KKKRKRMVJRHDMG-UHFFFAOYSA-N
SMILES: CN1C(=O)C(OC2=CC=C(F)C=C2F)=CC2=C1N=C(NC1CCOCC1)N=C2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_RFAA | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA |