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- ChemComp-7JE: 5-(4-fluorophenyl)-~{N}-[[3-[(~{R})-(1-methylindazol-5-yl)-oxidan... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7JE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5P9N | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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
![](data/pdb/img/5p9n.jpg)
PDB-5p9n:
humanized rat COMT in complex with 5-(4-fluorophenyl)-2,3-dihydroxy-N-[[3-[hydroxy-(1-methylindazol-5-yl)methyl]phenyl]methyl]benzamide at 1.17A