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TitleDiscovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 1544-1562, Year 2024
Publish dateDec 18, 2023 (structure data deposition date)
AuthorsVelcicky, J. / Janser, P. / Gommermann, N. / Brenneisen, S. / Ilic, S. / Vangrevelinghe, E. / Stiefl, N. / Boettcher, A. / Arnold, C. / Malinverni, C. ...Velcicky, J. / Janser, P. / Gommermann, N. / Brenneisen, S. / Ilic, S. / Vangrevelinghe, E. / Stiefl, N. / Boettcher, A. / Arnold, C. / Malinverni, C. / Dawson, J. / Murgasova, R. / Desrayaud, S. / Beltz, K. / Hinniger, A. / Dekker, C. / Farady, C.J. / Mackay, A.
External linksJ. Med. Chem. / PubMed:38175811
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-8ri2:
Crystal structure of NLRP3 in complex with inhibitor NP3-562
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

PDB-1h02:
Human Insulin-like growth factor; SRS Daresbury data

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / inflammasome / inhibitor / NLRP3 / NALP3

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