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- ChemComp-2R9: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-meth... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: Synonyms: Asunaprevir Comment | inhibitor*YM | |
-Chemical information
Composition | |||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2R9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4NWL | ||||||||
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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 4 items
![](data/pdb/img/4nwl.jpg)
PDB-4nwl:
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
![](data/pdb/img/4wf8.jpg)
PDB-4wf8:
Crystal structure of NS3/4A protease in complex with Asunaprevir
![](data/pdb/img/4wh6.jpg)
PDB-4wh6:
Crystal structure of HCV NS3/4A protease variant R155K in complex with Asunaprevir
![](data/pdb/img/5eqs.jpg)
PDB-5eqs:
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir