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BioLiP

PDB CCD ID: WS8
Number of entries in BioLiP: 4
Chemical formula: C8 H11 B O4
InChI: InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3
InChIKey: XUIURRYWQBBCCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(OC)cc(c1)B(O)O
OpenEye OEToolkits 2.0.7B(c1cc(cc(c1)OC)OC)(O)O
ACDLabs 12.01COc1cc(cc(OC)c1)B(O)O
Name:(3,5-dimethoxyphenyl)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).
  • 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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