PDB ligand accession: 37U
DrugBank: DB07027
PubChem:
ChEMBL: n/a
InChI Key: JGZSVYZIJHGHMA-MOPGFXCFSA-N
SMILES: [H][C@@](N)(CC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC=CC(F)=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 |