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BioLiP

PDB CCD ID: GJ2
Number of entries in BioLiP: 1
Chemical formula: C18 H17 F3 N2 O4 S2
InChI: InChI=1S/C18H17F3N2O4S2/c19-18(20,21)12-14-23-29(26,27)17-10-8-15(9-11-17)5-4-13-22-28(24,25)16-6-2-1-3-7-16/h1-3,6-11,22-23H,12-14H2
InChIKey: YOHZJJJIFGXOPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
CACTVS 3.385FC(F)(F)CCN[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2
Name:4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]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)(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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