sc-PDB-Frag
A database for bioisosteric replacement
Welcome to sc-PDB-Frag
sc-PDB-Frag is a database of protein-bound fragments that assists youin selecting truly bioisosteric scaffolds
The database allows you to:
- Search your favorite fragment among PDB ligands or sketch it;
- Define similarity rules to retrieve potential bioisosteres;
- Score bioisosteres according to interaction pattern similarity;
- Align bioisosteres to your reference scaffold;
- Visualize the proposed alignment.
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Citing sc-PDB-FragDesaphy, J. and and Rognan, D.sc-PDB-Frag: A Database of Protein-Ligand Interaction Patterns for Bioisosteric Replacements J. Chem. Inf. Model. 2014, 54, 1908-1918 |
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Statistics8,077 protein-ligand complexes2,377 proteins 5,233 ligands 12,000 fragments 15 million pair-wise fragment comparisons |
© Copyright 2013. Structural Chemogenomics Group - UMR7200