2vj7

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Revision as of 09:02, 31 January 2008

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spinqualitylabelsall models 2vj7, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

HUMAN BACE-1 IN COMPLEX WITH 3-(ETHYLAMINO)-N-((1S,2R)-2-HYDROXY-1-(PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL) METHYL)AMINO)PROPYL)-5-(2-OXO-1-PYRROLIDINYL)BENZAMIDE

Overview

This paper describes the discovery of non-peptidic, potent, and selective, hydroxy ethylamine (HEA) inhibitors of BACE-1 by replacement of the prime, side of a lead di-amide 2. Inhibitors with nanosmolar potency and high, selectivity were identified. Depending on the nature of the P(1)(') and, P(2)(') substituents, two different binding modes were observed in X-ray, co-crystal structures.

About this Structure

2VJ7 is a Single protein structure of sequence from Homo sapiens with as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

BACE-1 inhibitors part 2: Identification of hydroxy ethylamines (HEAs) with reduced peptidic character., Clarke B, Demont E, Dingwall C, Dunsdon R, Faller A, Hawkins J, Hussain I, Macpherson D, Maile G, Matico R, Milner P, Mosley J, Naylor A, O'Brien A, Redshaw S, Riddell D, Rowland P, Soleil V, Smith KJ, Stanway S, Stemp G, Sweitzer S, Theobald P, Vesey D, Walter DS, Ward J, Wayne G, Bioorg Med Chem Lett. 2007 Dec 15;. PMID:18166458

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