PDB ligand accession: 965
DrugBank: DB03791
PubChem: 447905;72199895;
ChEMBL:
InChI Key: NAXSRXHZFIBFMI-UHFFFAOYSA-N
SMILES: OC(=O)CC1=CC=CC(OCCCN(CC(C2=CC=CC=C2)C2=CC=CC=C2)CC2=CC=CC(=C2Cl)C(F)(F)F)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 447 | Sumoylation |