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BioLiP

PDB CCD ID: SEV
Number of entries in BioLiP: 1
Chemical formula: C20 H16 F2 N2 O4 S
InChI: InChI=1S/C20H16F2N2O4S/c1-28-18-7-5-16(6-8-18)24-29(26,27)19-4-2-3-17(12-19)23-20(25)13-9-14(21)11-15(22)10-13/h2-12,24H,1H3,(H,23,25)
InChIKey: PHNKXJVGPMJTLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F
CACTVS 3.385COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1
Name:3,5-bis(fluoranyl)-~{N}-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
ChEMBL: CHEMBL3430954
ZINC: ZINC000015432970
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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