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TitleDiscovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 10188-10203, Year 2020
Publish dateApr 21, 2020 (structure data deposition date)
AuthorsMackman, R.L. / Mish, M. / Chin, G. / Perry, J.K. / Appleby, T. / Aktoudianakis, V. / Metobo, S. / Pyun, P. / Niu, C. / Daffis, S. ...Mackman, R.L. / Mish, M. / Chin, G. / Perry, J.K. / Appleby, T. / Aktoudianakis, V. / Metobo, S. / Pyun, P. / Niu, C. / Daffis, S. / Yu, H. / Zheng, J. / Villasenor, A.G. / Zablocki, J. / Chamberlain, J. / Jin, H. / Lee, G. / Suekawa-Pirrone, K. / Santos, R. / Delaney 4th, W.E. / Fletcher, S.P.
External linksJ. Med. Chem. / PubMed:32407112
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-6wml:
Human TLR8 bound to the potent agonist, GS-9688 (Selgantolimod)
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-U57:
(2R)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / Selgantolimod / Toll-like Receptor / Immune Activator / Receptor agonist

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