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- ChemComp-0QS: N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(c... -
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Open data
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Basic information
Entry | ![]() |
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Name | Name: Synonyms: PD-135,040 |
-BIRD information
Type | Peptide-like / Inhibitor |
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Synonyms |
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Annotation |
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External info | |
Family | PD-135,040 GEM-DIOL INHIBITOR PD-135.040 |
-Chemical information
Composition | |||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 0QS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1OD1 / Model coordinates details: not provided / Subcomponent: TSM, PHE, HIS, CHF, EMR | ||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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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 1.7.0 | ( | |
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-PDB entries
Showing all 5 items
![](data/pdb/img/1epr.jpg)
PDB-1epr:
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
![](data/pdb/img/1od1.jpg)
PDB-1od1:
Endothiapepsin PD135,040 complex
![](data/pdb/img/2jji.jpg)
PDB-2jji:
Endothiapepsin in complex with a gem-diol inhibitor.
![](data/pdb/img/2jjj.jpg)
PDB-2jjj:
Endothiapepsin in complex with a gem-diol inhibitor.
![](data/pdb/img/2vs2.jpg)
PDB-2vs2:
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.