ArticleProceedings of the National Academy of Sciences of the United States of America2019
Interrogating dense ligand chemical space with a forward-synthetic library.
Article in Proceedings of the National Academy of Sciences of the United States of America, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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Who cites it
8 citing papers in PubMed.
- A bitopic agonist bound to the dopamine 3 receptor reveals a selectivity site.Nature communications · 2024Article
- Helix encoder: a compound-protein interaction prediction model specifically designed for class A GPCRs.Frontiers in bioinformatics · 2023Article
- Finding the Perfect Fit: Conformational Biosensors to Determine the Efficacy of GPCR Ligands.ACS pharmacology & translational science · 2022Review
- The Impact of the Secondary Binding Pocket on the Pharmacology of Class A GPCRs.Frontiers in pharmacology · 2022Review
- Efficient Synthesis of 6,6´-Diamido-2,2´-dipicolylamine Ligands for Potential Phosphate Anion Sensing.New journal of chemistry = Nouveau journal de chimie · 2021Article
- Analyzing Kinase Similarity in Small Molecule and Protein Structural Space to Explore the Limits of Multi-Target Screening.Molecules (Basel, Switzerland) · 2021Article
- The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling.ACS pharmacology & translational science · 2020Article
- SAR by Space: Enriching Hit Sets from the Chemical Space.Molecules (Basel, Switzerland) · 2019Article
Corrections and comments
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Forward-synthetic databases are an efficient way to enumerate chemical space. We explored here whether these databases are good sources of novel protein ligands and how many molecules are obtainable and in which time frame. Based on docking calculations, series of molecules were selected to gain insights into the ligand structure-activity relationship. To evaluate the novelty of compounds in a challenging way, we chose the β
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Registered trials
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