SEQ2FUN

BioLiP

PDB CCD ID: A1CUX
Number of entries in BioLiP: 1
Chemical formula: C13 H13 N O
InChI: InChI=1S/C13H13NO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10,14H2
InChIKey: FSQPEMRQTZGIRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		Nc1cccc(COc2ccccc2)c1
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)OCc2cccc(c2)N
Name:3-(phenoxymethyl)aniline
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).