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Yorodumi- ChemComp-81A: 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMIN... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 81A |
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Name | Name: |
-Chemical information
Composition | Formula: C20H25N3O7S2 / Number of atoms: 57 / Formula weight: 483.558 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 81A / Model coordinates PDB-ID: 1T4U | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / CompTox / PubChem / PubChem_TPharma / SureChEMBL / 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-1t4u:
Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin