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- ChemComp-29E: (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: ( Synonyms: Duloxetine Comment | medication, inhibitor*YM | |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 29E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4MM6 | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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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 3 items
![](data/pdb/img/4mm6.jpg)
PDB-4mm6:
Crystal structure of LeuBAT (delta13 mutant) in complex with (S)-duloxetine
![](data/pdb/img/4mmd.jpg)
PDB-4mmd:
Crystal structure of LeuBAT (delta6 mutant) in complex with (S)-duloxetine
![](data/pdb/img/6m38.jpg)
PDB-6m38:
X-ray structure of a Drosophila dopamine transporter with subsiteB mutations (D121G/S426M) in S-duloxetine bound form