PDB ligand accession: IPE
DrugBank: DB04714
PubChem:
ChEMBL:
InChI Key: NUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES: CC(=C)CCO[P@](O)(=O)OP(O)(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 25 | Acetylation | PyMOL_RFAA | ||
LYS | 30 | Acetylation | PyMOL_RFAA | ||
LYS | 25 | Malonylation | |||
SER | 60 | Phosphorylation | PyMOL_RFAA | ||
SER | 70 | Phosphorylation | PyMOL_RFAA |