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BioLiP Library

PDB CCD ID: BOP
Number of entries in BioLiP: 0
Chemical formula: C7 H7 Br O
InChI: InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: QJPJQTDYNZXKQF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ether
OpenEye OEToolkits 1.5.0COc1ccc(cc1)Br
CACTVS 3.341COc1ccc(Br)cc1
Name:1-BROMO-4-METHOXYBENZENE
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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