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BioLiP

PDB CCD ID: 7N4
Number of entries in BioLiP: 1
Chemical formula: C13 H11 B Cl F O2
InChI: InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2
InChIKey: XKCHKRXBHQBTGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01B(c1cc(c(cc1)OCc2ccccc2F)Cl)O
OpenEye OEToolkits 2.0.6B(c1ccc(c(c1)Cl)OCc2ccccc2F)O
CACTVS 3.385OBc1ccc(OCc2ccccc2F)c(Cl)c1
Name:{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic 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).
  • 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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