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BioLiP

PDB CCD ID: 4C8
Number of entries in BioLiP: 10
Chemical formula: C12 H5 Br5 O
InChI: InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H
InChIKey: NSKIRYMHNFTRLR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1
OpenEye OEToolkits 1.9.2c1cc(c(cc1Br)Br)Oc2c(cc(cc2Br)Br)Br
ACDLabs 12.011,3,5-tribromo-2-(2,4-dibromophenoxy)benzene
Name:2,4-dibromophenyl 2,4,6-tribromophenyl ether
ZINC: ZINC000095619687
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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