SEQ2FUN

BioLiP

PDB CCD ID: E5H
Number of entries in BioLiP: 2
Chemical formula: C22 H28 N2 O2
InChI: InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)
InChIKey: IYYRFRHVGUOBGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3
CACTVS 3.385O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
Name:2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide
ChEMBL: CHEMBL4277357
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).