We're excited to announce a new feature on ChEMBL compound pages: an interactive 3D viewer showing a low-energy, quantum-mechanically informed conformer for each compound, wherever one is available. This is part of a collaboration with the Isayev Lab at Carnegie Mellon University who have developed ChEMBL3D. Until now, ChEMBL compound pages have shown molecules as flat 2D structures. A 2D depiction is great for seeing connectivity, but it says nothing about a molecule's actual shape in three dimensions, and shape is often what determines whether a compound fits a binding pocket, how it interacts with a target, or how its stereochemistry affects potency. With this release, you can rotate, zoom, and explore a real 3D conformer directly on the compound page, view it alongside the familiar 2D structure, and download the coordinates as an SDF file. The 2D and 3D visualization options in ChEMBL for the sample molecu le Imatinib (CHEMBL941), https://www.ebi.ac.uk/chembl/explore...
Thank you to everyone who has shared feedback with us through our UX studies and conversations with the ChEMBL team. Your input has helped us understand what’s working well, what could be smoother, and where small changes could make a big difference. Based on that feedback, we’ve made a few updates to the ChEMBL web interface that we hope will make browsing, searching, filtering, and exploring data a little easier. We’d love for you to try them out and let us know what you think. Filters that stay with you The filters panel is now sticky, so it stays visible while you scroll through results. This should make it easier to refine searches without having to jump back up the page. We’ve also updated the histogram-style filters so the bars include counts directly inside them, making it easier to scan the available values at a glance. And when a filter section has more options available, there is now a “See all” button so you can expand the full list of facets. Histogram filters before and ...