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BioLiP

PDB CCD ID: A1IKU
Number of entries in BioLiP: 2
Chemical formula: C7 H10 B O3
InChI: InChI=1S/C7H10BO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5,9-11H,1H3
InChIKey: BBVYZRUHVNLQBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(c1ccc(cc1)C)(O)(O)O
CACTVS 3.385Cc1ccc(cc1)[B](O)(O)O
Name:(4-methylphenyl)-tris(oxidanyl)boron
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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