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BioLiP

PDB CCD ID: LL0
Number of entries in BioLiP: 6
Chemical formula: C7 H7 F2 N O3 S
InChI: InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
InChIKey: XDODAVQVIOWLPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccccc1OC(F)F
ACDLabs 12.01O=S(N)(=O)c1ccccc1OC(F)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)OC(F)F)S(=O)(=O)N
Name:2-(difluoromethoxy)benzene-1-sulfonamide
ZINC: ZINC000036948432
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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