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BioLiP

PDB CCD ID: 8U3
Number of entries in BioLiP: 2
Chemical formula: C7 H7 F2 N O2 S
InChI: InChI=1S/C7H7F2NO2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,1H3
InChIKey: CRLGPRNTBCRIBM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccc(F)c(F)c1
OpenEye OEToolkits 2.0.6CS(=O)(=O)Nc1ccc(c(c1)F)F
Name:N-[3,4-bis(fluoranyl)phenyl]methanesulfonamide
ChEMBL: CHEMBL4076637
ZINC: ZINC000000029686
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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