BioLiP

PDB

BioLiP

PDB CCD ID:

K2I

Number of entries in BioLiP:

Chemical formula:

C6 H2 Br2 O2

InChI:

InChI=1S/C6H2Br2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H

InChIKey:

KNPAQJBQOIAPBP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	BrC1=CC(=O)C(=CC1=O)Br
OpenEye OEToolkits 2.0.7	C1=C(C(=O)C=C(C1=O)Br)Br

Name:

2,5-bis(bromanyl)cyclohexa-2,5-diene-1,4-dione

ZINC:

ZINC000000087596

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).