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BioLiP

PDB CCD ID: T13
Number of entries in BioLiP: 7
Chemical formula: C13 H7 F6 N O3 S
InChI: InChI=1S/C13H7F6NO3S/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,20H,1H3
InChIKey: ROZCIVXTLACYNY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1ccc(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1F
OpenEye OEToolkits 1.5.0COc1ccc(cc1F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F
ACDLabs 10.04Fc1cc(ccc1OC)NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F
Name:2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
ChEMBL: CHEMBL79280
DrugBank: DB16103
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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