2vie | pdb_00002vie
|
HUMAN BACE-1 IN COMPLEX WITH N-((1S,2R)-1-BENZYL-2-HYDROXY-3-((1,1,5-TRIMETHYLHEXYL)AMINO)PROPYL)-3-(ETHYLAMINO)-5-(2-OXOPYRROLIDIN-1-YL)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
2VIE is a Single protein structure of sequence from Homo sapiens with VG0 as ligand. Active as Memapsin 2, with EC number 3.4.23.46 Known structural/functional Site: AC1. 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
Page seeded by OCA on Thu Jan 31 11:01:52 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Homo sapiens
- Memapsin 2
- Single protein
- Brien, A.O.
- 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.
- Redshaw, S.
- Riddell, D.
- Rowland, P.
- Smith, K.
- Soleil, V.
- Stanway, S.
- Stemp, G.
- Sweitzer, S.
- Theobald, P.
- Vesey, D.
- Walter, D.S.
- Ward, J.
- Wayne, G.
- VG0
- Alternative splicing
- Asp-2
- Aspartyl protease
- Bace-1
- Beta-secretase
- Beta-site app cleaving enzyme
- Glycoprotein
- Hydrolase
- Memapsin-2
- Membrane
- Protease
- Transmembrane
- Zymogen
