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TitleDiscovery of Potent and Brain-Penetrant Inverse Agonists for GPR61, an Orphan G Protein-Coupled Receptor.
Journal, issue, pagesJ. Med. Chem., Year 2026
Publish dateSep 26, 2025 (structure data deposition date)
AuthorsEthan L Fisher / Anne-Marie Dechert Schmitt / Jamison B Tuttle / Ray Unwalla / Gabrielle H Lovett / Bethany L Kormos / Karen J Coffman / Dahui Zhou / Michael Moran / Jade Williams / Jun Xiao / Erik A LaChapelle / Jean-Philippe Fortin / Abdul Q Sheikh / Kimberly A Stevens / Jimmy X Kong / Emily A G Hughes / Ryan M Esquejo / Stephanie Joaquim / Nalissa L Amar / Danielle Archambault / Jeonifer Garren / Danna Breen / Srinath Jagarlapudi / Robert Dullea / Rebecca E O'Connor / Erika Koslov-Davino / Ernesto Callegari / João M Dias / Joshua A Lees / Kris Borzilleri / Seungil Han / Jonathan Brooks / Felix F Vajdos / Ashish Goyal / Lei Zhang / Yuan Zhang /
PubMed AbstractGPR61 is a class A orphan G protein-coupled receptor (GPCR) that is predominantly expressed in the pituitary gland and appetite-regulating centers of the brain. Genome-wide association analysis, ...GPR61 is a class A orphan G protein-coupled receptor (GPCR) that is predominantly expressed in the pituitary gland and appetite-regulating centers of the brain. Genome-wide association analysis, epigenetic analysis, and animal model data have suggested that GPR61 could be a potential therapeutic target for appetite and body weight modulation. Herein, we describe our medicinal chemistry efforts in discovering a class of potent, selective, and brain-penetrant GPR61 inverse agonists. The cryogenic electron microscopy structure of GPR61 bound to compound shows that this class of inverse agonists binds to an induced, intracellular, allosteric pocket and abolishes GPR61 constitutive activity by disrupting its interactions with G protein, representing a novel mode of action of GPCR inverse agonism.
External linksJ. Med. Chem. / PubMed:41834467
MethodsEM (single particle)
Resolution3.08 Å
Structure data

PDB-9yfu:
Structure of GPR61 bound to inverse agonist compound 15
Method: ELECTRON MICROSCOPY / Resolution: 3.08 Å

Chemicals

PDB-1cwb:
THE X-RAY STRUCTURE OF (MEBM2T)1-CYCLOSPORIN COMPLEXED WITH CYCLOPHILIN A PROVIDES AN EXPLANATION FOR ITS ANOMALOUSLY HIGH IMMUNOSUPPRESSIVE ACTIVITY

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • lama glama (llama)
KeywordsSIGNALING PROTEIN / GPCR / GPR61 / orphan receptor / inverse agonist

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