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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: 2-[1-[1-[3-fluoranyl-2-(trifluoromethyl)pyridin-4-yl]carbonylpiperidin-4-yl]-3-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]ethanenitrile |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S4R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BXC | ||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
![](data/pdb/img/8bxc.jpg)
PDB-8bxc:
Crystal structure of JAK2 JH1 in complex with itacitinib