BioLiP

PDB

BioLiP

PDB CCD ID:

WJD

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)

InChIKey:

LEQAQBFYCMENLP-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1ccccc1NC(COC)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COCC(=O)Nc1ccccc1

Name:

2-methoxy-N-phenylacetamide

ZINC:

ZINC000000047226

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).