BioLiP

PDB

BioLiP

PDB CCD ID:

VRH

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O4

InChI:

InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13)

InChIKey:

YEBZKMWVAQUTLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CONC(=O)COc1ccc(C)cc1OC
OpenEye OEToolkits 2.0.7	Cc1ccc(c(c1)OC)OCC(=O)NOC
ACDLabs 12.01	COc1cc(C)ccc1OCC(=O)NOC

Name:

N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide

ZINC:

ZINC000025821504

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).