BioLiP

PDB

BioLiP

PDB CCD ID:

A1AYK

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O2

InChI:

InChI=1S/C11H15NO2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9H,5-8,12H2

InChIKey:

CLGPZXHLRKSEDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccccc1OC2CCOCC2
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)N)OC2CCOCC2
ACDLabs 12.01	Nc1ccccc1OC1CCOCC1

Name:

2-[(oxan-4-yl)oxy]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).