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- ChemComp-JS0: [8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanol -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: [ Synonyms: 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde |
-Chemical information
Composition | |||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: JS0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZPB | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
![](data/pdb/img/7zpb.jpg)
PDB-7zpb:
Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde