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- ChemComp-631: (1R,2S)-2-{3-[(E)-2-{4-[(dimethylamino)methyl]phenyl}ethenyl]-2H-... -
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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: 631 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4JXF | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | ( | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/4jxf.jpg)
PDB-4jxf:
Crystal Structure of PLK4 Kinase with an inhibitor: 400631 ((1R,2S)-2-{3-[(E)-2-{4-[(DIMETHYLAMINO)METHYL]PHENYL}ETHENYL]-2H-INDAZOL-6-YL}-5'-METHOXYSPIRO[CYCLOPROPANE-1,3'-INDOL]-2'(1'H)-ONE)