BioLiP

PDB

BioLiP

PDB CCD ID:

A1IKU

Number of entries in BioLiP:

Chemical formula:

C7 H10 B O3

InChI:

InChI=1S/C7H10BO3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5,9-11H,1H3

InChIKey:

BBVYZRUHVNLQBZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	B(c1ccc(cc1)C)(O)(O)O
CACTVS 3.385	Cc1ccc(cc1)[B](O)(O)O

Name:

(4-methylphenyl)-tris(oxidanyl)boron

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).