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BioLiP

PDB CCD ID: VWE
Number of entries in BioLiP: 4
Chemical formula: C7 H5 F O5 S
InChI: InChI=1S/C7H5FO5S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3H,(H,9,10)(H,11,12,13)
InChIKey: DAYQUMDMVVFSIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(ccc1F)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)O)C(=O)O)F
Name:2-fluoranyl-5-sulfo-benzoic acid
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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