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- ChemComp-XNW: (1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXA... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: ( Synonyms: (2R)-2-METHOXYBENZYL-3-DEHYDROQUINIC ACID |
-Chemical information
Composition | |||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XNW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XB8 | ||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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 1.6.1 | ( | |
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-PDB entries
Showing all 2 items
![](data/pdb/img/2xb8.jpg)
PDB-2xb8:
Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
![](data/pdb/img/2xb9.jpg)
PDB-2xb9:
Structure of Helicobacter pylori type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3-dehydroquinic acid