BioLiP

PDB

BioLiP

PDB CCD ID:

VP8

Number of entries in BioLiP:

Chemical formula:

C8 H11 B O3

InChI:

InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3

InChIKey:

CHCWUTJYLUBETR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(c1cccc(c1)OCC)(O)O
ACDLabs 12.01 CACTVS 3.385	CCOc1cccc(c1)B(O)O

Name:

(3-ethoxyphenyl)boronic acid

ZINC:

ZINC000169743510

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).