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- ChemComp-78E: 3-[(3-hydroxyphenyl)methyl]-6-(propan-2-yl)-19-oxa-1,4,7,25-tetra... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: |
-BIRD information
Type | Peptide-like / Inhibitor |
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-Chemical information
Composition | |||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 78E / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5T9W / Subcomponent: 78D, VAL, MTY | ||||||
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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 1 items
![](data/pdb/img/5t9w.jpg)
PDB-5t9w:
Discovery of a Potent Cyclophilin Inhibitor (Compound 5) based on Structural Simplification of Sanglifehrin A