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BioLiP

PDB CCD ID: 4BP
Number of entries in BioLiP: 0
Chemical formula: C14 H12 Br2
InChI: InChI=1S/C14H12Br2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H,9-10H2
InChIKey: HMUGRILXVBKBID-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01BrCc2ccc(c1ccc(cc1)CBr)cc2
CACTVS 3.370BrCc1ccc(cc1)c2ccc(CBr)cc2
OpenEye OEToolkits 1.7.6c1cc(ccc1CBr)c2ccc(cc2)CBr
Name:4,4'-bis(bromomethyl)biphenyl
ZINC: ZINC000000362877

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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