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BioLiP

PDB CCD ID: ZR0
Number of entries in BioLiP: 1
Chemical formula: C8 H5 Br O4
InChI: InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: MSQIEZXCNYUWHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(=O)c1cc(ccc1Br)C(=O)O
CACTVS 3.385OC(=O)c1ccc(Br)c(c1)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1C(=O)O)C(=O)O)Br
Name:4-bromobenzene-1,3-dicarboxylic acid
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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