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BioLiP

PDB CCD ID: S9S
Number of entries in BioLiP: 8
Chemical formula: C9 H12 F N O2 S
InChI: InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChIKey: JZUQJFQXYYHUJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)NCCc1ccc(F)cc1
OpenEye OEToolkits 2.0.6CS(=O)(=O)NCCc1ccc(cc1)F
Name:~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
ZINC: ZINC000001457001
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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