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BioLiP Library

PDB CCD ID: ZKR
Number of entries in BioLiP: 7
Chemical formula: C5 H4 B F3 O2 S
InChI: InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
InChIKey: NHBZQJOZVBHDAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1ccc(s1)B(O)O
CACTVS 3.385OB(O)c1sc(cc1)C(F)(F)F
OpenEye OEToolkits 2.0.7B(c1ccc(s1)C(F)(F)F)(O)O
Name:[5-(trifluoromethyl)thiophen-2-yl]boronic 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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