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Yorodumi- ChemComp-5J4: 2-[6-(cyclobuta-1,3-dien-1-ylamino)-1,3-benzothiazol-2-yl]-1,3-th... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5J4 |
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Name | Name: |
-Chemical information
Composition | Formula: C14H9N3OS2 / Number of atoms: 29 / Formula weight: 299.371 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5J4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5DWV | ||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-5dwv:
Crystal structure of the Luciferase complexed with substrate analogue