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- ChemComp-619: N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-... -
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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: 619 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3HVI | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 3 items
![](data/pdb/img/3hvi.jpg)
PDB-3hvi:
Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor
![](data/pdb/img/5lqa.jpg)
PDB-5lqa:
rat catechol O-methyltransferase at high pH in complex with a bisubstrate inhibitor
![](data/pdb/img/5lqu.jpg)
PDB-5lqu:
Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide