BioLiP

PDB

BioLiP

PDB CCD ID:

A1CXD

Number of entries in BioLiP:

Chemical formula:

C12 H16 N2 O2

InChI:

InChI=1S/C12H16N2O2/c1-10(15)13-11-4-2-3-5-12(11)14-6-8-16-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)

InChIKey:

SDWSFRAJHDWPOA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	CC(=O)Nc1ccccc1N1CCOCC1
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CC(=O)Nc1ccccc1N2CCOCC2

Name:

N-[2-(morpholin-4-yl)phenyl]acetamide

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).