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Yorodumi- ChemComp-Q1K: 6-(4-methylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q1K |
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Name | Name: |
-Chemical information
Composition | Formula: C10H14N6O2S / Number of atoms: 33 / Formula weight: 282.322 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Q1K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YYO | ||||
History |
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External links | UniChem / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6yyo:
Structure of Cathepsin S in complex with Compound 1