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Yorodumi- ChemComp-2DU: {2-[(benzylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2DU |
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Name | Name: { |
-Chemical information
Composition | Formula: C19H18N2O6S / Number of atoms: 46 / Formula weight: 402.421 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2DU / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MUJ | ||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4muj:
Crystal structure of pantothenate synthetase in complex with 2-(2-(benzylsulfonylcarbamoyl)-5-methoxy-1H-indol-1-yl)acetic acid