PDB ligand accession: MSI
DrugBank: DB08213
PubChem:
ChEMBL:
InChI Key: PFAYCUAUBOGVDX-AWEZNQCLSA-N
SMILES: [H][C@@]1(COC2=CC=CC=C2)CCCN1S(=O)(=O)C1=CC2=C(C=C1)N(C)C(=O)C2=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 260 | Ubiquitination | |||
| CYS | 163 | Glutathionylation | PyMOL_RFAA | ||
| CYS | 163 | S-nitrosylation | PyMOL_RFAA |