PDB ligand accession: DI2
DrugBank: DB07658
PubChem:
ChEMBL:
InChI Key: UCQIHCRMWNRFNP-QYZOEREBSA-N
SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)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 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |