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- ChemComp-STV: ~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: STV
NameName: ~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide

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Chemical information

Composition
Formula: C10H13NO4S / Number of atoms: 29 / Formula weight: 243.28 / Formal charge: 0
Others

5r9w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: STV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R9W
History
Create componentMar 11, 2020
Initial releaseJul 22, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC[S](=O)(=O)NCc1ccc2OCOc2c1
OpenEye OEToolkits 2.0.6CCS(=O)(=O)NCc1ccc2c(c1)OCO2

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SMILES CANONICAL

CACTVS 3.385CC[S](=O)(=O)NCc1ccc2OCOc2c1
OpenEye OEToolkits 2.0.6CCS(=O)(=O)NCc1ccc2c(c1)OCO2

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InChI

InChI 1.03InChI=1S/C10H13NO4S/c1-2-16(12,13)11-6-8-3-4-9-10(5-8)15-7-14-9/h3-5,11H,2,6-7H2,1H3

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InChIKey

InChI 1.03UKPLBUIFSDRLEZ-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5r9w:
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13598a in complex with MAP kinase p38-alpha

PDB-5rmi:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z53860899

PDB-5s5w:
Tubulin-Z53860899-complex

PDB-7gp9:
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53860899

PDB-7h3a:
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z53860899 (A71EV2A-x0351)

PDB-7hke:
Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53860899 (DNV2_NS5A-x0174)

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