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BioLiP

PDB CCD ID: VOW
Number of entries in BioLiP: 1
Chemical formula: C8 H11 B O3
InChI: InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: WRQNDLDUNQMTCL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(c1ccc(cc1)OCC)(O)O
ACDLabs 12.01
CACTVS 3.385		CCOc1ccc(cc1)B(O)O
Name:(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
ZINC: ZINC000169743251
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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