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BioLiP

PDB CCD ID: SJD
Number of entries in BioLiP: 0
Chemical formula: C20 H15 F3 N2 O4 S
InChI: InChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)
InChIKey: NWMPDNCLCRMZII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F
CACTVS 3.385COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
Name:3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
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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