BioLiP

PDB

BioLiP

PDB CCD ID:

4C8

Number of entries in BioLiP:

Chemical formula:

C12 H5 Br5 O

InChI:

InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H

InChIKey:

NSKIRYMHNFTRLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
OpenEye OEToolkits 1.9.2	c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br
ACDLabs 12.01	1,3,5-tribromo-2-(2,4-dibromophenoxy)benzene

Name:

2,4-dibromophenyl 2,4,6-tribromophenyl ether

ZINC:

ZINC000095619687

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).