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BioLiP

PDB CCD ID: 4QT
Number of entries in BioLiP: 1
Chemical formula: C6 H4 Br3 N O4
InChI: InChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2
InChIKey: LZZXDGTUENOCKF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1c(Br)c(OO)c(Br)c(OO)c1Br
ACDLabs 12.01
OpenEye OEToolkits 1.9.2		c1(c(c(c(c(c1Br)OO)Br)OO)Br)N
Name:5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
ZINC: ZINC000584904940
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)(download the PDF file).
  • 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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