BioLiP

PDB

BioLiP

PDB CCD ID:

WDH

Number of entries in BioLiP:

Chemical formula:

C11 H18 N4 O

InChI:

InChI=1S/C11H18N4O/c1-4-12-11(16)8-15(5-2)10-6-7-13-9(3)14-10/h6-7H,4-5,8H2,1-3H3,(H,12,16)

InChIKey:

WLGVAJHCCALAOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nc(ccn1)N(CC(=O)NCC)CC
OpenEye OEToolkits 2.0.7	CCNC(=O)CN(CC)c1ccnc(n1)C
CACTVS 3.385	CCNC(=O)CN(CC)c1ccnc(C)n1

Name:

N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide

ZINC:

ZINC000084482835

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).