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Yorodumi- ChemComp-0QS: N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(c... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0QS |
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Name | Name: Synonyms: PD-135,040 |
-BIRD information
Type | Peptide-like / Inhibitor |
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Downloads | Molecular definition / Chemical definition / Family definition |
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 | Formula: C36H56F2N7O8S / Number of atoms: 110 / Formula weight: 784.934 / Formal charge: 1 | ||||||||
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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 | ||||||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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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
PDB-1epr:
ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040
PDB-1od1:
Endothiapepsin PD135,040 complex
PDB-2jji:
Endothiapepsin in complex with a gem-diol inhibitor.
PDB-2jjj:
Endothiapepsin in complex with a gem-diol inhibitor.
PDB-2vs2:
Neutron diffraction structure of endothiapepsin in complex with a gem- diol inhibitor.