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BioLiP

PDB CCD ID: R8Q
Number of entries in BioLiP: 1
Chemical formula: C10 H11 F4 N O2 S2
InChI: InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3
InChIKey: NTKHWXIITXMCEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC
OpenEye OEToolkits 2.0.7CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F
Name:2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide
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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