Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2022 Apr 11;10:832431. doi: 10.3389/fchem.2022.832431

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

Copyright © 2022 Ewert, Günther, Miglioli, Falke, Reinke, Niebling, Günther, Han, Srinivasan, Brognaro, Lieske, Lorenzen, Garcia-Alai, Betzel, Carcelli, Hinrichs, Rogolino and Meents.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

PMC Copyright notice

Docking studies of extended compounds highlight potential of binders as lead compounds. (A) Results of the docking studies of crystallized and elongated binders. (B) The docked compound combining H1 (magenta) with HE9 (PDB: 7ofu, light pink) binding to the S1 site. (C) T1 (blue) combined with HBA (PDB: 7oft, light blue) binding to the S2 site. (D) T4 (orange) combined with YRL (PDB: 7ofs, light orange) binding to the S2 site. Shown are representative structures of the maximum cluster of the docked conformations.