PDB ligand accession: SPM
DrugBank: DB00127
PubChem:
ChEMBL:
InChI Key: PFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES: NCCCNCCCCNCCCN
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
ARG | 122 | Methylation | PyMOL_RFAA PyMOL_RFAA | PyMOL_Chai1 PyMOL_Chai1 | |
MET | 182 | Sulfoxidation | PyMOL_RFAA |