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- ChemComp-6SQ: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone -
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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: 6SQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5KGT | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
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
OpenEye OEToolkits 2.0.5 |
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-PDB entries
Showing all 1 items
![](data/pdb/img/5kgt.jpg)
PDB-5kgt:
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 1-[4-[4-(3-chlorophenyl)carbonylpiperidin-1-yl]phenyl]ethanone