DrugDomain reports interactions between protein domains and their ligand partners, links binding data to evolutionary domain classification, and catalogs small molecule binding-associated post-translational modifications for human proteins.

Proteins

Protein Domains & Structures

43,033

UniProt

228,442

PDB IDs

534,652

Domains

2,460

AlphaFold Models

Explore Proteins

Small Molecules

Drug Compounds & Inhibitors

7,618

DrugBank IDs

37,300

PDB Ligands

Superclasses

347

Classes

Explore Small Molecules

PTMs

Small Molecule Binding-Associated Post-Translational Modifications

PTM Types

826

Involved Proteins

1,704

Involved Domains

14,578

Rosetta, Chai1 and AF3 Models

Explore PTMs

References

Most Recent

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.

Computational and Structural Biotechnology Journal 27: 4040-4047

Article: 4040-4047 →PMID: 41017823 →

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

Article: 67 →PMID: 40320551 →

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

Article: e5116 →PMID: 38979784 →