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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: WE4
Number of entries in BioLiP: 1
Chemical formula: C8 H2 Br4 O4
InChI: InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChIKey: PNXPXUDJXYVOFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1c(Br)c(Br)c(C(O)=O)c(Br)c1Br
OpenEye OEToolkits 2.0.7c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O
ACDLabs 12.01C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O
Name:2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
ZINC: ZINC000004428460

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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