BioLiP

PDB

BioLiP

PDB CCD ID:

CB0

Number of entries in BioLiP:

Chemical formula:

C2 H2 Br2

InChI:

InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-

InChIKey:

UWTUEMKLYAGTNQ-UPHRSURJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(=C\Br)\Br
CACTVS 3.385	BrC=CBr
CACTVS 3.385	Br\C=C/Br
ACDLabs 12.01	Br[C@H]=[C@H]Br
OpenEye OEToolkits 1.7.6	C(=CBr)Br

Name:

CIS-DIBROMOETHENE

ZINC:

ZINC000085478952

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).