BioLiP

PDB

BioLiP

PDB CCD ID:

43H

Number of entries in BioLiP:

Chemical formula:

C17 H14 B N O4

InChI:

InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H

InChIKey:

RJVMGRMKRJSOAH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O
CACTVS 3.385	OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3
ACDLabs 12.01	O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O

Name:

[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid

ChEMBL:

CHEMBL3425744

ZINC:

ZINC000199167708

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).