BioLiP

PDB

BioLiP

PDB CCD ID:

A9E

Number of entries in BioLiP:

Chemical formula:

C15 H21 N O2

InChI:

InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3

InChIKey:

NWXWQKFUSIRDFR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCc1ccc(cc1)OCC(=O)N2CCCCC2
CACTVS 3.385	CCc1ccc(OCC(=O)N2CCCCC2)cc1

Name:

2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone

ZINC:

ZINC000000486827

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).