PDB ligand accession: 19U
DrugBank: DB06878
PubChem:
ChEMBL:
InChI Key: OTYYXGRJXJFTCD-KGLIPLIRSA-N
SMILES: [H][C@@](N)(CC)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(Cl)=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 |