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Yorodumi- ChemComp-DY1: [(1S)-6-fluoro-8-(methylsulfonyl)-9-{(1R)-1-[4-(trifluoromethyl)p... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: DY1 |
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Name | Name: [( |
-Chemical information
Composition | Formula: C24H23F4NO4S / Number of atoms: 57 / Formula weight: 497.502 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DY1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BLF | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | 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
ACDLabs 12.01 | [(OpenEye OEToolkits 2.0.6 | |
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-PDB entries
Showing all 1 items
PDB-6blf:
PDE2 complexed with 2-[6-fluoro-8-methylsulfonyl-9-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid