BioLiP

PDB

BioLiP

PDB CCD ID:

GWA

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O3

InChI:

InChI=1S/C11H14N2O3/c1-8(14)12-9-4-3-5-10(6-9)13-11(15)7-16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)

InChIKey:

ZDALGCTWWSVNDR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COCC(=O)Nc1cccc(NC(C)=O)c1
OpenEye OEToolkits 2.0.6	CC(=O)Nc1cccc(c1)NC(=O)COC

Name:

~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide

ZINC:

ZINC000000860450

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).