BioLiP

PDB

BioLiP

PDB CCD ID:

WE4

Number of entries in BioLiP:

Chemical formula:

C8 H2 Br4 O4

InChI:

InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

InChIKey:

PNXPXUDJXYVOFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1c(Br)c(Br)c(C(O)=O)c(Br)c1Br
OpenEye OEToolkits 2.0.7	c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O
ACDLabs 12.01	C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O

Name:

2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid

ZINC:

ZINC000004428460

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).