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- ChemComp-I1W: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3- ...Name: ( |
-Chemical information
Composition | |||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: I1W / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7TDU | ||||
History |
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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/7tdu.jpg)
PDB-7tdu:
Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1