SEQ2FUN

BioLiP

PDB CCD ID: 025
Number of entries in BioLiP: 0
Chemical formula: C7 H5 F3 O3 S
InChI: InChI=1S/C7H5F3O3S/c8-7(9,10)5-2-1-3-6(4-5)14(11,12)13/h1-4H,(H,11,12,13)
InChIKey: LVMOKIQHDKDNBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1cc(ccc1)S(=O)(=O)O
OpenEye OEToolkits 1.7.0c1cc(cc(c1)S(=O)(=O)O)C(F)(F)F
CACTVS 3.370O[S](=O)(=O)c1cccc(c1)C(F)(F)F
Name:3-(trifluoromethyl)benzenesulfonic acid
ZINC: ZINC000034241310
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).