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- ChemComp-YVS: [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(1H-benzotriazole-... -
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Open data
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Basic information
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Name | Name: [ |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YVS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5S9N | ||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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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-SYSTEMATIC NAME
ACDLabs 12.01 | [OpenEye OEToolkits 2.0.7 | [ | |
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-PDB entries
Showing all 1 items
![](data/pdb/img/5s9n.jpg)
PDB-5s9n:
AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3%