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BioLiP

PDB CCD ID: A1IKR
Number of entries in BioLiP: 1
Chemical formula: C8 H10 B O3
InChI: InChI=1S/C8H10BO3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7,10-12H/b7-6+
InChIKey: GARKQUWSHKJXJF-VOTSOKGWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[B](O)(O)C=Cc1ccccc1
OpenEye OEToolkits 2.0.7B(/C=C/c1ccccc1)(O)(O)O
CACTVS 3.385O[B](O)(O)/C=C/c1ccccc1
OpenEye OEToolkits 2.0.7B(C=Cc1ccccc1)(O)(O)O
Name:tris(oxidanyl)-[(~{E})-2-phenylethenyl]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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