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BioLiP Library

PDB CCD ID: 8BE
Number of entries in BioLiP: 1
Chemical formula: C15 H14 Br N O3
InChI: InChI=1S/C15H14BrNO3/c1-19-14-8-12(5-6-13(14)15(17)18)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKey: XLCVIUNLASFRSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br
CACTVS 3.385COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O
Name:4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide
ChEMBL: CHEMBL5198615
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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