PDB ligand accession: 64U
DrugBank: DB07190
PubChem:
ChEMBL:
InChI Key: JGFCNVHEEMBVJG-MOPGFXCFSA-N
SMILES: [H][C@@](N)(CC1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |