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BioLiP Library

PDB CCD ID: B4S
Number of entries in BioLiP: 1
Chemical formula: C13 H9 F4 N O2 S
InChI: InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
InChIKey: UEPKMFLFRNDVAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c2ccc(c1ccc(c(F)c1)C(F)(F)F)cc2
CACTVS 3.385N[S](=O)(=O)c1ccc(cc1)c2ccc(c(F)c2)C(F)(F)F
Name:3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
ChEMBL: CHEMBL450994
ZINC: ZINC000040836559
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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