BioLiP

PDB

BioLiP

PDB CCD ID:

A1IKR

Number of entries in BioLiP:

Chemical formula:

C8 H10 B O3

InChI:

InChI=1S/C8H10BO3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7,10-12H/b7-6+

InChIKey:

GARKQUWSHKJXJF-VOTSOKGWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[B](O)(O)C=Cc1ccccc1
OpenEye OEToolkits 2.0.7	B(/C=C/c1ccccc1)(O)(O)O
CACTVS 3.385	O[B](O)(O)/C=C/c1ccccc1
OpenEye OEToolkits 2.0.7	B(C=Cc1ccccc1)(O)(O)O

Name:

tris(oxidanyl)-[(~{E})-2-phenylethenyl]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).