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BioLiP

PDB CCD ID: S2Y
Number of entries in BioLiP: 3
Chemical formula: C14 H14 F N O
InChI: InChI=1S/C14H14FNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKey: QHNUQKUZGHGTCA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COc1ccc(cc1)NCc2ccc(cc2)F
CACTVS 3.385COc1ccc(NCc2ccc(F)cc2)cc1
Name:~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
ZINC: ZINC000000575186
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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