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Yorodumi- ChemComp-A5K: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A5K |
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Name | Name: |
-Chemical information
Composition | Formula: C11H13ClF3N3 / Number of atoms: 31 / Formula weight: 279.689 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A5K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5ORP | ||||
History |
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External links | UniChem / ChemSpider / ChemicalBook / CompTox / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5orp:
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment