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Yorodumi- ChemComp-B82: 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B82 |
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Name | Name: Synonyms: 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid |
-Chemical information
Composition | Formula: C18H19BrN2O5S / Number of atoms: 46 / Formula weight: 455.323 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B82 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3IL5 | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-3il5:
Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid