BioLiP

PDB

BioLiP

PDB CCD ID:

A1AND

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O2

InChI:

InChI=1S/C11H15NO2/c1-9-6-4-5-7-10(9)14-8-11(13)12(2)3/h4-7H,8H2,1-3H3

InChIKey:

QTVILMLWBQTJNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccccc1OCC(=O)N(C)C
ACDLabs 12.01 CACTVS 3.385	CN(C)C(=O)COc1ccccc1C

Name:

N,N-dimethyl-2-(2-methylphenoxy)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).