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BioLiP

PDB CCD ID: FBW
Number of entries in BioLiP: 2
Chemical formula: C6 H6 F N O2 S
InChI: InChI=1S/C6H6FNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey: CRINBBOGNYCAOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352N[S](=O)(=O)c1cccc(F)c1
OpenEye OEToolkits 1.6.1c1cc(cc(c1)S(=O)(=O)N)F
ACDLabs 10.04O=S(=O)(c1cc(F)ccc1)N
Name:3-fluorobenzenesulfonamide
ZINC: ZINC000000404040
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).
  • 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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