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- ChemComp-E60: 2-sulfanylidene-1,3-thiazolidin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: E60
NameName: 2-sulfanylidene-1,3-thiazolidin-4-one

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Chemical information

Composition
Formula: C3H3NOS2 / Number of atoms: 10 / Formula weight: 133.192 / Formal charge: 0
Others

6l50

Type: non-polymer / PDB classification: HETAIN / Three letter code: E60 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6L50
History
Create componentOct 24, 2019
Initial releaseJul 15, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 3.385O=C1CSC(=S)N1
OpenEye OEToolkits 2.0.7C1C(=O)NC(=S)S1

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SMILES CANONICAL

CACTVS 3.385O=C1CSC(=S)N1
OpenEye OEToolkits 2.0.7C1C(=O)NC(=S)S1

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InChI

InChI 1.03InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

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InChIKey

InChI 1.03KIWUVOGUEXMXSV-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6l50:
Crystal structure of Zika NS2B-NS3 protease with compound 16

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