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Yorodumi- ChemComp-QWE: amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QWE |
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Name | Name: Synonyms: RWJ-50215 |
-BIRD information
Type | Peptide-like / Thrombin 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 | DAPA based inhibitor dansylarginine-N-(3-ethyl-1,5-pentanediyl)amide / RWJ-50215 |
-Chemical information
Composition | Formula: C29H40N7O4S2 / Number of atoms: 82 / Formula weight: 614.802 / Formal charge: 1 | ||||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: QWE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1A4W / Model coordinates details: not provided / Subcomponent: ANS, ARG, 5TP | ||||||||||
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 1 items
PDB-1a4w:
CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE