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- ChemComp-NUN: 1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one -
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Open data
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Basic information
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Name | Name: |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: NUN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7UMU | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/7umu.jpg)
PDB-7umu:
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor