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BioLiP

PDB CCD ID: V6I
Number of entries in BioLiP: 1
Chemical formula: C7 H8 F N O2 S
InChI: InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey: DJLCKPRURZWUOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)Nc1ccccc1F
ACDLabs 12.01O=S(C)(=O)Nc1ccccc1F
OpenEye OEToolkits 2.0.7CS(=O)(=O)Nc1ccccc1F
Name:N-(2-fluorophenyl)methanesulfonamide
ZINC: ZINC000000029491
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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