PDB ligand accession: 1XJ
DrugBank: DB12340
PubChem:
ChEMBL:
InChI Key: JLYAXFNOILIKPP-KXQOOQHDSA-N
SMILES: [H][C@@](CCN1CCOCC1)(CSC1=CC=CC=C1)NC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(CCC(C)(C)C2)C2=CC=C(Cl)C=C2)CC1)S(=O)(=O)C(F)(F)F
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
CYS | 158 | S-nitrosylation | PyMOL_RFAA |