BioLiP

PDB

BioLiP

PDB CCD ID:

XJY

Number of entries in BioLiP:

Chemical formula:

C4 H9 B O2

InChI:

InChI=1S/C4H9BO2/c6-5(7)4-2-1-3-4/h4,6-7H,1-3H2

InChIKey:

MIUALDDWOKMYDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(C1CCC1)(O)O
ACDLabs 12.01 CACTVS 3.385	OB(O)C1CCC1

Name:

cyclobutylboronic acid

ZINC:

ZINC000169745165

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).