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- ChemComp-NNE: N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoy... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-Chemical information
Composition | |||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NNE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HWL | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.5 | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/5hwl.jpg)
PDB-5hwl:
Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form