BioLiP

PDB

BioLiP

PDB CCD ID:

L8U

Number of entries in BioLiP:

Chemical formula:

C8 H6 Br2 O2

InChI:

InChI=1S/C8H6Br2O2/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3,11H,4H2

InChIKey:

MGBNHYHFAXNJLU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(Br)ccc1C(=O)CBr
OpenEye OEToolkits 2.0.7	c1cc(c(cc1Br)O)C(=O)CBr

Name:

2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone

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).