DrugDomain v2.0

Tutorial

DrugDomain database reports:

1. ECOD domains of proteins that are targets for small molecules and drugs

2. Small molecule binding-associated post-translational modifications (PTMs)(example)

Protein search by UniProt; Small molecule search by DrugBank accession or PDB ligand id:

References:

1. Kirill E. Medvedev, R. Dustin Schaeffer, Nick V. Grishin (2025) DrugDomain 2.0: comprehensive database of protein domains-ligands/drugs interactions across the whole Protein Data Bank. bioRxiv 33(8): https://doi.org/10.1101/2025.07.03.663025

2. Kirill E. Medvedev, R. Dustin Schaeffer, Nick V. Grishin (2025) Leveraging AI to Explore Structural Contexts of Post-Translational Modifications in Drug Binding. Journal of Chemoinformatics 17(1): 67 PMID: 40320551

3. Kirill E. Medvedev, R. Dustin Schaeffer, Nick V. Grishin (2024) DrugDomain: The evolutionary context of drugs and small molecules bound to domains. Protein Science 33(8): e5116 PMID: 38979784