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- ChemComp-ZUG: N,N-dimethylpyridine-3-sulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: ZUG
NameName: N,N-dimethylpyridine-3-sulfonamide

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Chemical information

Composition
Formula: C7H10N2O2S / Number of atoms: 22 / Formula weight: 186.231 / Formal charge: 0
Others

7g9q

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZUG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7G9Q
History
Create componentJul 5, 2023
Initial releaseJul 26, 2023
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

ACDLabs 12.01O=S(=O)(c1cccnc1)N(C)C
CACTVS 3.385CN(C)[S](=O)(=O)c1cccnc1
OpenEye OEToolkits 2.0.7CN(C)S(=O)(=O)c1cccnc1

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SMILES CANONICAL

CACTVS 3.385CN(C)[S](=O)(=O)c1cccnc1
OpenEye OEToolkits 2.0.7CN(C)S(=O)(=O)c1cccnc1

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InChI

InChI 1.06InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3

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InChIKey

InChI 1.06HGZULNNLLFYOFI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N,N-dimethylpyridine-3-sulfonamide
OpenEye OEToolkits 2.0.7~{N},~{N}-dimethylpyridine-3-sulfonamide

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PDB entries

Showing all 5 items

PDB-7g9q:
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z751811134

PDB-7h3l:
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 Z751811134 (A71EV2A-x0428)

PDB-7hgj:
PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z751811134

PDB-7hu3:
PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z751811134

PDB-7hzn:
Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0018764-002 (A71EV2A-x2448)

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