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BioLiP Library

PDB CCD ID: 8Z5
Number of entries in BioLiP: 2
Chemical formula: C7 H6 Br I
InChI: InChI=1S/C7H6BrI/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey: BACZSVQZBSCWIG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385BrCc1cccc(I)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)I)CBr
Name:Alpha-Bromo-3-Iodotoluene
ZINC: ZINC000002566214
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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