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Yorodumi- ChemComp-2B5: 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)a... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2B5 |
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Name | Name: |
-Chemical information
Composition | Formula: C21H18N2O5 / Number of atoms: 46 / Formula weight: 378.378 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2B5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3LE8 | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / 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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-SYSTEMATIC NAME
OpenEye OEToolkits 1.6.1 |
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-PDB entries
Showing all 1 items
PDB-3le8:
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.70 Angstrom resolution in complex with 2-(2-((benzofuran-2-carboxamido)methyl)-5-methoxy-1H-indol-1-yl)acetic acid