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BioLiP

PDB CCD ID: MJW
Number of entries in BioLiP: 2
Chemical formula: C13 H13 N O
InChI: InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
InChIKey: PLPVLSBYYOWFKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccccc1OCc2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccccc2N
Name:2-phenylmethoxyaniline
ZINC: ZINC000000406930
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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