2o7n

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2o7n, resolution 1.75Å

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CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile

Overview

A new class of lymphocyte function-associated antigen-1 (LFA-1), antagonists is described. Elaboration of the, 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold resulted in the synthesis of, potent inhibitors of the LFA-1/ICAM-1 interaction. Along with the in vitro, activity, we present the X-ray crystal structure of the complex of, compound 9b, in a novel binding mode to the I-domain of LFA-1.

About this Structure

2O7N is a Single protein structure of sequence from Homo sapiens with 2O7 as ligand. Full crystallographic information is available from OCA.

Reference

Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold., Dodd DS, Sheriff S, Chang CJ, Stetsko DK, Phillips LM, Zhang Y, Launay M, Potin D, Vaccaro W, Poss MA, McKinnon M, Barrish JC, Suchard SJ, Murali Dhar TG, Bioorg Med Chem Lett. 2007 Apr 1;17(7):1908-11. Epub 2007 Jan 24. PMID:17291752

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