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Yorodumi- ChemComp-QY3: 2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QY3 |
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Name | Name: |
-Chemical information
Composition | Formula: C21H23FN4O4S3 / Number of atoms: 56 / Formula weight: 510.625 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: QY3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8BL1 | ||||
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
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 3.1.0.0 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8bl1:
Human Sirt6 in complex with the inhibitor S6039 and ADP-ribose