BioLiP

PDB

BioLiP

PDB CCD ID:

WKK

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OB(O)c1csc2ccccc12
ACDLabs 12.01	OB(O)c1csc2ccccc21
OpenEye OEToolkits 2.0.7	B(c1csc2c1cccc2)(O)O

Name:

1-benzothiophen-3-ylboronic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).