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- ChemComp-SYJ: 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: SYJ
NameName: 2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

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Chemical information

Composition
Formula: C11H10FNO3S / Number of atoms: 27 / Formula weight: 255.265 / Formal charge: 0
Others

5r0g

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SYJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5R0G
History
Create componentMar 13, 2020
Initial releaseJun 3, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385Fc1ccccc1[S](=O)(=O)NCc2occc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2

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SMILES CANONICAL

CACTVS 3.385Fc1ccccc1[S](=O)(=O)NCc2occc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2

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InChI

InChI 1.03InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2

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InChIKey

InChI 1.03PUDNUBFHZZXPAS-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-5qyc:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07a

PDB-5r0g:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D07, DMSO-free

PDB-8cfi:
Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment D07

PDB-9rq5:
Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry D07

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