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BioLiP Library

PDB CCD ID: ZBR
Number of entries in BioLiP: 0
Chemical formula: C9 H9 Br3
InChI: InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChIKey: GHITVUOBZBZMND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1c(cc(cc1CBr)CBr)CBr
CACTVS 3.370BrCc1cc(CBr)cc(CBr)c1
ACDLabs 12.01BrCc1cc(cc(c1)CBr)CBr
Name:1,3,5-tris(bromomethyl)benzene
ZINC: ZINC000003121805
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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