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- ChemComp-6ZV: N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-f... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: Synonyms: Abemaciclib Comment | medication, inhibitor*YM | |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6ZV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5L2S | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.5 | |
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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
ACDLabs 12.01 | OpenEye OEToolkits 2.0.5 | ~{ | |
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-PDB entries
Showing all 4 items
![](data/pdb/img/5l2s.jpg)
PDB-5l2s:
The X-ray co-crystal structure of human CDK6 and Abemaciclib.
![](data/pdb/img/7o7j.jpg)
PDB-7o7j:
Crystal structure of the human HIPK3 kinase domain bound to abemaciclib
![](data/pdb/img/7o7k.jpg)
PDB-7o7k:
Crystal structure of the human DYRK1A kinase domain bound to abemaciclib
![](data/pdb/img/7sj3.jpg)
PDB-7sj3:
Structure of CDK4-Cyclin D3 bound to abemaciclib