Introductionmore >

KinaFrag is an integrated database to explore the kinase-ligand fragment interaction space. It contains 31464 kinase ligand fragments, 7783 crystal structures of kinase-ligand fragment complex, involving 894 kinase ligand binding cleft structures and 5066 kinase ligand binding sub-pocket structures. Each fragment record contains detailed information on chemical identification, physicochemical properties, binding information, similarity structures and references, which could be used for the exploration of known kinase-ligand fragment interaction space. The high quality data are mainly collected from existing electronic databases, and all the fragments are generated with our experience can be traced back to the original source. In addition, we provide a fragment-linking workflow to explore the unknown kinase-ligand fragment interaction space. Comprehensive data, user-friendly interface allow user to browse, search, retrieve or extract information within KinaFrag, and may facilitate selective kinase inhibitors design via fragment-based drug design.

News

  1. The version 1.0 of KinaFrag is online —— 2020.06.05
  2. The Fragment-linking function is online —— 2020.12.27

Useful Links

  1. ACFIS Server — a web server for fragment-based drug design.
  2. PADFrag — Pesticide and Drug Fragments Database.
  3. AILDE Server — a web server for lead optimization.
  4. BeeTox Server — a server to predict bee toxicity via Graph Convolutional Neural NetWork method.
  5. AIMMS Server — a web server to predict mutation-induced drug resistance.
  6. PIIMS Server — a web server to predict hot spots of protein-protein interaction.
  7. LARMD Server — a web server to investigate ligand-protein interactional binding mode.
  8. ACID Server — a web server for drug repurposing using consensus inverse docking method.

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