SEQ2FUN

BioLiP

PDB CCD ID: JB8
Number of entries in BioLiP: 2
Chemical formula: C8 H8 B N O2
InChI: InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
InChIKey: ZVMHOIWRCCZGPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(c1ccc2cc[nH]c2c1)(O)O
CACTVS 3.385OB(O)c1ccc2cc[nH]c2c1
Name:1~{H}-indol-6-ylboronic acid
ChEMBL: CHEMBL4071778
ZINC: ZINC000169743962
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).