SEQ2FUN

BioLiP

PDB CCD ID: A1CGV
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N O2
InChI: InChI=1S/C17H21NO2/c1-2-18-12-13-19-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
InChIKey: DLYGRQINMSKZKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CCNCCOc1ccc(cc1)OCc2ccccc2
CACTVS 3.385CCNCCOc1ccc(OCc2ccccc2)cc1
ACDLabs 14.52CCNCCOc1ccc(cc1)OCc1ccccc1
Name:2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine
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).