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BioLiP

PDB CCD ID: FBU
Number of entries in BioLiP: 2
Chemical formula: C6 H5 F2 N O2 S
InChI: InChI=1S/C6H5F2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey: MKQPOVUFDWKPNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[S](=O)(=O)c1cc(F)cc(F)c1
ACDLabs 10.04Fc1cc(cc(F)c1)S(=O)(=O)N
OpenEye OEToolkits 1.5.0c1c(cc(cc1F)S(=O)(=O)N)F
Name:3,5-DIFLUOROBENZENESULFONAMIDE
DrugBank: DB02087
ZINC: ZINC000002576766
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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