+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A3X |
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Name | Name: Synonyms: 1-[(E)-1-(3-methoxy-4-oxidanyl-phenyl)ethylideneamino]thiourea |
-Chemical information
Composition | Formula: C10H13N3O2S / Number of atoms: 29 / Formula weight: 239.294 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: A3X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7QCM | ||||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-7qcm:
Structure of SARS-CoV-2 Papain-like Protease bound to N-(3-methoxy-4-hydroxy-acetophenone)thiosemicarbazone