BioLiP

PDB

BioLiP

PDB CCD ID:

QDO

Number of entries in BioLiP:

Chemical formula:

C10 H8 Br2 N2 O2

InChI:

InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2

InChIKey:

DQKNFTLRMZOAMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	[O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc12
ACDLabs 12.01	[O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)[n+](c(c([n+]2[O-])CBr)CBr)[O-]

Name:

2,3-bis(bromomethyl)quinoxaline 1,4-dioxide;
conoidin A

ChEMBL:

CHEMBL4860684

ZINC:

ZINC000003190997

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).