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- ChemComp-PK8: 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene -

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Basic information

EntryDatabase: PDB chemical components / ID: PK8
NameName: 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene

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Chemical information

Composition
Formula: C5H4NOSZn / Number of atoms: 13 / Formula weight: 191.565 / Formal charge: 1
Others

6yt8
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: PK8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YT8
History
Create componentApr 24, 2020
Initial releaseMay 6, 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 3.385O1[Zn]Sc2cccc[n+]12
OpenEye OEToolkits 2.0.7c1cc[n+]2c(c1)S[Zn]O2

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SMILES CANONICAL

CACTVS 3.385O1[Zn]Sc2cccc[n+]12
OpenEye OEToolkits 2.0.7c1cc[n+]2c(c1)S[Zn]O2

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InChI

InChI 1.03InChI=1S/C5H5NOS.Zn/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+2/p-1

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InChIKey

InChI 1.03PURMLSMXFJKREH-UHFFFAOYSA-M

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PDB entries

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PDB-7b83:
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc

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