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 | 80 | Acetylation | PyMOL_RFAA | ||
LYS | 123 | Acetylation | PyMOL_RFAA | ||
LYS | 123 | Malonylation | PyMOL_RFAA | ||
TYR | 117 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 265 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 259 | Phosphorylation | PyMOL_Chai1 | ||
SER | 271 | Phosphorylation | PyMOL_RFAA | ||
MET | 301 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 123 | Ubiquitination | |||
SER | 334 | Phosphorylation | PyMOL_RFAA |