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Yorodumi- ChemComp-95N: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethy... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 95N |
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Name | Name: |
-Chemical information
Composition | Formula: C16H23BrN6 / Number of atoms: 46 / Formula weight: 379.298 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 95N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5NR8 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-5nr8:
Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 7a