PDB ligand accession: PBG
DrugBank: DB02272
PubChem:
ChEMBL:
InChI Key: QSHWIQZFGQKFMA-UHFFFAOYSA-N
SMILES: NCC1=C(CC(O)=O)C(CCC(O)=O)=CN1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 168 | Phosphorylation | PyMOL_RFAA | ||
TYR | 205 | Phosphorylation | PyMOL_Chai1 | ||
SER | 214 | Phosphorylation | PyMOL_RFAA | ||
SER | 215 | Phosphorylation | PyMOL_RFAA | ||
MET | 170 | Sulfoxidation | PyMOL_RFAA | ||
MET | 171 | Sulfoxidation | PyMOL_RFAA |