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BioLiP

PDB CCD ID: UR1
Number of entries in BioLiP: 8
Chemical formula: C7 H8 F N O2 S
InChI: InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey: RMTMZIARFLDIKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(F)cc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)S(=O)(=O)N)F
ACDLabs 12.01c1c(S(N)(=O)=O)cc(C)cc1F
Name:3-fluoro-5-methylbenzene-1-sulfonamide
ZINC: ZINC000074942597
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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