+Open data
-Basic information
Entry | Database: PDB chemical components / ID: GWS |
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Name | Name: |
-Chemical information
Composition | Formula: C13H18N2O / Number of atoms: 34 / Formula weight: 218.295 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GWS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QIF | ||||
History |
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External links | UniChem / ChemSpider / PubChem / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 3 items
PDB-5qif:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z31792168
PDB-5r84:
PanDDA analysis group deposition -- Crystal Structure of COVID-19 main protease in complex with Z31792168
PDB-7qt5:
Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168