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BioLiP

PDB CCD ID: WKK
Number of entries in BioLiP: 6
Chemical formula: C8 H7 B O2 S
InChI: InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKey: QVANIYYVZZLQJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OB(O)c1csc2ccccc12
ACDLabs 12.01OB(O)c1csc2ccccc21
OpenEye OEToolkits 2.0.7B(c1csc2c1cccc2)(O)O
Name:1-benzothiophen-3-ylboronic 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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