BioLiP

PDB

BioLiP

PDB CCD ID:

NMR

Number of entries in BioLiP:

Chemical formula:

C6 H4 B Cl2 O2

InChI:

InChI=1S/C6H4BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10H

InChIKey:

QFYDXKOJHIFUIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[B](=O)c1cc(Cl)cc(Cl)c1
OpenEye OEToolkits 2.0.7	B(=O)(c1cc(cc(c1)Cl)Cl)O

Name:

[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-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).