SEQ2FUN

BioLiP

PDB CCD ID: BZB
Number of entries in BioLiP: 10
Chemical formula: C8 H7 B O2 S
InChI: InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
InChIKey: YNCYPMUJDDXIRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0B(c1cc2ccccc2s1)(O)O
CACTVS 3.341OB(O)c1sc2ccccc2c1
ACDLabs 10.04OB(O)c2sc1ccccc1c2
Name:BENZO[B]THIOPHENE-2-BORONIC ACID
ChEMBL: CHEMBL34964
DrugBank: DB04360
ZINC: ZINC000169743221
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).