PDB ligand accession: 997
DrugBank: DB04612
PubChem:
ChEMBL:
InChI Key: QKPXPZYQPBWDHS-MCJAPYMPSA-N
SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC1=CC=CC=C1)C(C)(C)C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
CYS | 300 | S-nitrosylation | PyMOL_RFAA | ||
CYS | 303 | S-nitrosylation | PyMOL_RFAA | ||
LYS | 322 | Ubiquitination |