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Yorodumi- ChemComp-964: 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 964 |
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Name | Name: Synonyms: SP7343-SP7964 |
-Chemical information
Composition | Formula: C19H27N5O5S2 / Number of atoms: 58 / Formula weight: 469.578 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 964 / Model coordinates PDB-ID: 1NWL | ||||||
History |
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External links | UniChem / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-1nwl:
Crystal structure of the PTP1B complexed with SP7343-SP7964, a pTyr mimetic