PDB ligand accession: 166
DrugBank: DB06865
PubChem:
ChEMBL: n/a
InChI Key: ZSRRBAKATXAISL-LMNJBCLMSA-N
SMILES: [H][C@](CCCCC(N)=N)(C(O)=O)[C@@]1([H])C2=C(C[C@]1([H])O)C=CC(=C2)C1=CC=C(O)C=C1
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 |