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Yorodumi- ChemComp-O6W: 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: O6W |
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Name | Name: |
-Chemical information
Composition | Formula: C13H13F3N2O2S / Number of atoms: 34 / Formula weight: 318.315 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: O6W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Y2J | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6y2j:
Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide