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BioLiP Library

PDB CCD ID: 8VY
Number of entries in BioLiP: 0
Chemical formula: C8 H8 Br2
InChI: InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
InChIKey: OXHOPZLBSSTTBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385BrCc1cccc(CBr)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)CBr)CBr
Name:1,3-bis(bromomethyl)benzene;
alpha,alpha'-dibromo-m-xylene
ZINC: ZINC000000162204
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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