BioLiP

PDB

BioLiP

PDB CCD ID:

6M4

Number of entries in BioLiP:

Chemical formula:

C7 H8 B O3

InChI:

InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1

InChIKey:

LFYLOXDIRWAWMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[B-]1(O)OCc2ccccc12
OpenEye OEToolkits 2.0.7	[B-]1(c2ccccc2CO1)(O)O
ACDLabs 12.01	c1c2c(ccc1)[B+](OC2)(O)O

Name:

1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium

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).