BioLiP

PDB

BioLiP

PDB CCD ID:

S4B

Number of entries in BioLiP:

Chemical formula:

C14 H13 B O4

InChI:

InChI=1S/C14H13BO4/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18)19/h1-9,16-19H/b2-1+

InChIKey:

DYVLARRBNBVUFX-OWOJBTEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	B(c1ccc(cc1)/C=C/c2cc(cc(c2)O)O)(O)O
OpenEye OEToolkits 2.0.6	B(c1ccc(cc1)C=Cc2cc(cc(c2)O)O)(O)O
CACTVS 3.385	OB(O)c1ccc(\C=C\c2cc(O)cc(O)c2)cc1
ACDLabs 12.01	c2(ccc(\C=C\c1cc(O)cc(O)c1)cc2)B(O)O
CACTVS 3.385	OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)cc1

Name:

{4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl}boronic acid

ChEMBL:

CHEMBL4063503

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).