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Open data
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Basic information
Entry | ![]() |
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Name | Name: ( Synonyms: (2S,4E)-N-methyl-5-(5-phenoxypyridin-3-yl)pent-4-en-2-amine |
-Chemical information
Composition | |||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7LB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5TVC | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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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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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.6 | (~{ | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/5tvc.jpg)
PDB-5tvc:
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with (E,2S)-N-methyl-5-(5-phenoxy-3-pyridyl)pent-4-en-2-amine (TI-5312)