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BioLiP

PDB CCD ID: KPQ
Number of entries in BioLiP: 1
Chemical formula: C4 H2 F9 N O2 S
InChI: InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKey: FUVKFLJWBHVMHX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
OpenEye OEToolkits 2.0.7C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F
Name:1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
ChEMBL: CHEMBL1076850
ZINC: ZINC000049672458
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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