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- ChemComp-68P: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: (Comment | antidepressant, inhibitor*YM | |
-Chemical information
Composition | |||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 68P / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5I73 | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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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 2.0.4 | ( | |
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-PDB entries
Showing all 4 items
![](data/pdb/img/5i71.jpg)
PDB-5i71:
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site
![](data/pdb/img/5i73.jpg)
PDB-5i73:
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites
![](data/pdb/img/5i75.jpg)
PDB-5i75:
X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site and Br-citalopram at the allosteric site
![](data/pdb/img/8i3v.jpg)
PDB-8i3v:
Cryo-EM structure of human norepinephrine transporter NET in the presence of the antidepressant escitalopram in an inward-open state at resolution of 2.85 angstrom.