BioLiP

PDB

BioLiP

PDB CCD ID:

8VY

Number of entries in BioLiP:

Chemical formula:

C8 H8 Br2

InChI:

InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

InChIKey:

OXHOPZLBSSTTBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	BrCc1cccc(CBr)c1
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)CBr)CBr

Name:

1,3-bis(bromomethyl)benzene;
alpha,alpha'-dibromo-m-xylene

ZINC:

ZINC000000162204

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).