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Yorodumi- ChemComp-RUE: 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]me... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: RUE |
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Name | Name: Synonyms: 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid; MWT-S-270; CHEMBL4216076 |
-Chemical information
Composition | Formula: C18H18N2O6 / Number of atoms: 44 / Formula weight: 358.345 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: RUE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AQ1 | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEMBL / PubChem / SureChEMBL / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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-7aq1:
Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270