BioLiP

PDB

BioLiP

PDB CCD ID:

V7L

Number of entries in BioLiP:

Chemical formula:

C9 H13 N3 O

InChI:

InChI=1S/C9H13N3O/c1-10-7-9(13)12(2)8-5-3-4-6-11-8/h3-6,10H,7H2,1-2H3

InChIKey:

NMGYUUWTXRESMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CN(C(=O)CNC)c1ccccn1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CNCC(=O)N(C)c1ccccn1

Name:

N,N~2~-dimethyl-N-(pyridin-2-yl)glycinamide

ZINC:

ZINC000019814208

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).