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Yorodumi- ChemComp-00K: (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 00K |
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Name | Name: ( Synonyms: MOL-106 |
-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 | alpha-ketoamide Thrombin Inhibitor MOL-106 / MOL-126 / MOL-127 |
-Chemical information
Composition | Formula: C28H44N6O4 / Number of atoms: 82 / Formula weight: 528.687 / Formal charge: 0 | ||||||||||
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Others | Type: peptide-like / PDB classification: HETAIN / Three letter code: 00K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1A46 / Subcomponent: 00U, 00V, ANL | ||||||||||
History |
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External links | UniChem / PubChem / ZINC / ChemSpider / 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-1a46:
THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR