PDB ligand accession: 979
DrugBank: DB07297
PubChem:
ChEMBL:
InChI Key: PTILEOLOGGMFCS-UHFFFAOYSA-N
SMILES: C(CN1CCNCC1)NC1=C2C(OC(=C2C2=CC=CC=C2)C2=CC=CC=C2)=NC=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 273 | Acetylation | PyMOL_RFAA | ||
SER | 274 | Phosphorylation | PyMOL_RFAA | ||
TYR | 318 | Phosphorylation | PyMOL_Chai1 | ||
SER | 323 | Phosphorylation | PyMOL_RFAA | ||
THR | 330 | Phosphorylation | PyMOL_RFAA | ||
SER | 373 | Phosphorylation | PyMOL_RFAA |