BioLiP

PDB

BioLiP

PDB CCD ID:

ZBR

Number of entries in BioLiP:

Chemical formula:

C9 H9 Br3

InChI:

InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2

InChIKey:

GHITVUOBZBZMND-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1c(cc(cc1CBr)CBr)CBr
CACTVS 3.370	BrCc1cc(CBr)cc(CBr)c1
ACDLabs 12.01	BrCc1cc(cc(c1)CBr)CBr

Name:

1,3,5-tris(bromomethyl)benzene

ZINC:

ZINC000003121805

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).