PDB ligand accession: 12U
DrugBank: DB06853
PubChem:
ChEMBL: n/a
InChI Key: BYTJPDBCLWUEBU-IBGZPJMESA-N
SMILES: [H][C@]1(CCCN1C(=O)CNC1CCCCCC1)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 |