BioLiP

PDB

BioLiP

PDB CCD ID:

WZY

Number of entries in BioLiP:

Chemical formula:

C9 H12 N2 O2

InChI:

InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey:

MAVJTZKUNOKGPF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)NC(=O)CN
ACDLabs 12.01	N(c1ccc(cc1)OC)C(CN)=O
CACTVS 3.385	COc1ccc(NC(=O)CN)cc1

Name:

N-(4-methoxyphenyl)glycinamide

ZINC:

ZINC000001566885

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).