Brand  (β version)

PDB ID: 2VNN

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Ligands
Code Name Style Show Link
CM7 N-[(1s,2r)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-7-ethyl-1-methyl-3,4-dihydro-1h-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide PoSSuM
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Structure summary

Code : 2VNN   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Human BACE-1 in complex with 7-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-1- methyl-3,4-dihydro-1H-(1,2,5)thiadiazepino(3,4,5-hi)indole-9- carboxamide 2,2-dioxide
Release Data : 2008-05-20
Compound :
mol_id molecule chains synonym
1 BETA-SECRETASE 1 A BETA-SITE APP CLEAVING ENZYME 1, BETA-SITE AMYLOID PRECURSOR PROTEIN CLEAVING ENZYME 1, MEMBRANE-ASSOCIATED ASPARTIC PROTEASE 2, MEMAPSIN-2, ASPARTYL PROTEASE 2, ASP 2, ASP2, BACE-1
ec: 3.4.23.46
fragment: RESIDUES 61-452
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN CRICETULUS GRISEUS  (taxid:10029)
expression_system_cell_line: CHO
Authors : Charrier, N., Clarke, B., Cutler, L., Demont, E., Dingwall, C., Dunsdon, R., East, P., Hawkins, J., Howes, C., Hussain, I., Jeffrey, P., Maile, G., Matico, R., Mosley, J., Naylor, A., OBrien, A., Redshaw, S., Rowland, P., Soleil, V., Smith, K.J., Sweitzer, S., Theobald, P., Vesey, D., Walter, D.S., Wayne, G.
Keywords : HYDROLASE, ALTERNATIVE SPLICING, BETA-SITE APP CLEAVING ENZYME, BETA-SECRETASE, ASPARTYL PROTEASE, ASP-2, BACE-1, ZYMOGEN, PROTEASE, MEMBRANE, MEMAPSIN-2, GLYCOPROTEIN, TRANSMEMBRANE
Exp. method : X-RAY DIFFRACTION ( 1.87 Å )
Citation :

Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.

Charrier, N.,Clarke, B.,Cutler, L.  et al.
(2008)  J.Med.Chem.  51 : 3313

PubMed: 18457381
DOI: 10.1021/JM800138H

Reaction

Chain : A
UniProt : P56817 (BACE1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Broad endopeptidase specificity. Cleaves Glu-Val-Asn-Leu-|- Asp-Ala-Glu-Phe in the Swedish variant of Alzheimer's amyloid precursor protein. 3.4.23.46 PubMed:10677483
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