PDB ligand accession: DI4
DrugBank: DB07659
PubChem:
ChEMBL: n/a
InChI Key: AILSWIBFGYYZTK-AABGKKOBSA-N
SMILES: [H][C@@](CCCCCN)(NC(=O)[C@]1([H])CCCN1C(=O)[C@@]([H])(CC1=CC=CC=C1)NC(C)=O)B(O)O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
SER | 539 | Phosphorylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |