BioLiP

PDB

BioLiP

PDB CCD ID:

OY7

Number of entries in BioLiP:

Chemical formula:

C8 H9 B O3

InChI:

InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3

InChIKey:

OBQRODBYVNIZJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1ccc(cc1)B(O)O
OpenEye OEToolkits 2.0.7	B(c1ccc(cc1)C(=O)C)(O)O

Name:

(4-ethanoylphenyl)boronic acid;
4-Acetylphenylboronic 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).