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BioLiP Library

PDB CCD ID: 6M4
Number of entries in BioLiP: 5
Chemical formula: C7 H8 B O3
InChI: InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
InChIKey: LFYLOXDIRWAWMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[B-]1(O)OCc2ccccc12
OpenEye OEToolkits 2.0.7[B-]1(c2ccccc2CO1)(O)O
ACDLabs 12.01c1c2c(ccc1)[B+](OC2)(O)O
Name:1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
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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