BioLiP

PDB

BioLiP

PDB CCD ID:

86Z

Number of entries in BioLiP:

Chemical formula:

C5 H6 B N O2

InChI:

InChI=1S/C5H6BNO2/c8-6(9)5-3-1-2-4-7-5/h1-4,8-9H

InChIKey:

UMLDUMMLRZFROX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(c1ccccn1)(O)O
CACTVS 3.385	OB(O)c1ccccn1

Name:

pyridin-2-ylboronic acid;
2-Pyridineboronic acid;
Pyridine-2-boronic acid

ZINC:

ZINC000169743878

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).