PDB ligand accession: 26U
DrugBank: DB06936
PubChem:
ChEMBL:
InChI Key: AEKJCSNKYXWOAQ-INIZCTEOSA-N
SMILES: [H][C@]1(CCCN1C(=O)CCC(C)C)C(=O)NCC1=CC=C(C=C1)C(N)=N
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 |