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BioLiP

PDB CCD ID: 260
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Br F2
InChI: InChI=1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: LSXJPJGBWSZHTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04BrCc1c(F)cccc1F
CACTVS 3.341Fc1cccc(F)c1CBr
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)F)CBr)F
Name:2-(bromomethyl)-1,3-difluorobenzene
ZINC: ZINC000002242587
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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