BioLiP

PDB

BioLiP

PDB CCD ID:

WS8

Number of entries in BioLiP:

Chemical formula:

C8 H11 B O4

InChI:

InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3

InChIKey:

XUIURRYWQBBCCK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OC)cc(c1)B(O)O
OpenEye OEToolkits 2.0.7	B(c1cc(cc(c1)OC)OC)(O)O
ACDLabs 12.01	COc1cc(cc(OC)c1)B(O)O

Name:

(3,5-dimethoxyphenyl)boronic acid

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).