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- ChemComp-F1J: (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: ( Synonyms: 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide |
-Chemical information
Composition | |||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: F1J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZJJ | ||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | ( | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/2zjj.jpg)
PDB-2zjj:
Crystal structure of the human BACE1 catalytic domain in complex with 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid (2-mercapto-ethyl)-amide