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- ChemComp-XQQ: 4-[(4S)-8-amino-3-{(2S)-1-[(2E)-but-2-enoyl]pyrrolidin-2-yl}imida... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: 4-{(4S)-8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XQQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8FD9 | ||||
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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 1.06 |
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-InChIKey
InChI 1.06 |
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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/8fd9.jpg)
PDB-8fd9:
Structure of BTK kinase domain with the second-generation inhibitor acalabrutinib