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BioLiP

PDB CCD ID: QDO
Number of entries in BioLiP: 0
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:
SoftwareSMILES
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 1.7.6c1ccc2c(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, Peter L 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).

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