BioLiP

PDB

BioLiP

PDB CCD ID:

QFP

Number of entries in BioLiP:

Chemical formula:

C8 H11 B O3

InChI:

InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2

InChIKey:

MCBDCMMJWCRCFZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCCOB(O)c1ccccc1
OpenEye OEToolkits 2.0.7	B(c1ccccc1)(O)OCCO
ACDLabs 12.01	c1ccccc1B(OCCO)O

Name:

2-hydroxyethyl hydrogen phenylboronate

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).