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- ChemComp-SUE: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfo... -
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Open data
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Basic information
Entry | ![]() | ||
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Name | Name: ( Synonyms: Grazoprevir, MK-5172 Comment | protease inhibitor*YM | |
-Chemical information
Composition | |||||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SUE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SUD | ||||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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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-PDB entries
Showing all 6 items
![](data/pdb/img/3sud.jpg)
PDB-3sud:
Crystal structure of NS3/4A protease in complex with MK-5172
![](data/pdb/img/3sue.jpg)
PDB-3sue:
Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
![](data/pdb/img/3suf.jpg)
PDB-3suf:
Crystal structure of NS3/4A protease variant D168A in complex with MK-5172
![](data/pdb/img/3sug.jpg)
PDB-3sug:
Crystal structure of NS3/4A protease variant A156T in complex with MK-5172
![](data/pdb/img/6c2m.jpg)
PDB-6c2m:
Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172
![](data/pdb/img/6p6q.jpg)
PDB-6p6q:
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir