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BioLiP Library

PDB CCD ID: 7SF
Number of entries in BioLiP: 0
Chemical formula: C7 H4 Cl F3 O3 S
InChI: InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
InChIKey: SUQWINLDJOTVAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)O)C(F)(F)F)Cl
CACTVS 3.385O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
Name:4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
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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