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BioLiP

PDB CCD ID: SYJ
Number of entries in BioLiP: 3
Chemical formula: C11 H10 F N O3 S
InChI: InChI=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
InChIKey: PUDNUBFHZZXPAS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccccc1[S](=O)(=O)NCc2occc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2
Name:2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide
ZINC: ZINC000000074622
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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