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Yorodumi- ChemComp-2EN: 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]am... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2EN |
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Name | Name: |
-Chemical information
Composition | Formula: C21H26ClN3O2S / Number of atoms: 54 / Formula weight: 419.968 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2EN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MWE | ||||
History |
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External links | UniChem / Brenda / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4mwe:
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1475)