Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor–ligand complex

Andersen, J.L.; Schrøder, T.J.; Christensen, S.; Strandbygård, D.; Pallesen, L.T.; García-Alai, M.M.; Lindberg, S.; Langgård, M.; Eskildsen, J.C.; David, L.; Tagmose, L.; Simonsen, K.B.; Maltas, P.J.; Rønn, L.C.B.; de Jong, I.E.M.; Malik, I.J.; Egebjerg, J.; Karlsson, J.-J.; Uppalanchi, S.; Sakumudi, D.R.; Eradi, P.; Watson, S.P.; Thirup, S.

doi:10.1107/S1399004713030149

Acta Crystallographica Section D
Acta Crystallographica
Section D BIOLOGICAL CRYSTALLOGRAPHY

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 1
Identification of AF40431. (a) Chemical structure and half-maximal inhibitory concentration (IC₅₀) values determined in the SPA assays of the hit compound 1a and its analogues (1b–1g). The stereochemistry of the samples in the compound collection was undefined [i.e. (+), (−) or (±)]. (b) Chemical structure of Calcein Blue (left) and tridentate metal (M) chelation by Calcein Blue (right). (c) Chemical structure and IC₅₀ values determined from the SPA assay of AF40431 and its stereoisomer 1h. Chemical structure were drawn using ChemSketch (ACD/Labs; https://www.acdlabs.com ).

BIOLOGICAL
CRYSTALLOGRAPHY

ISSN: 1399-0047

Volume 70| Part 2| January 2014| Pages 451-460

doi:10.1107/S1399004713030149

Follow Acta Cryst. D

Search term		doi		Advanced search
Author		volume	page