BioLiP

PDB

BioLiP

PDB CCD ID:

WGP

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O

InChI:

InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3

InChIKey:

MLCBUWNEWJFXJX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(CC(N(C)C)=O)c1ccccc1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN(C)C(=O)CNc1ccccc1

Name:

N,N-dimethyl-N~2~-phenylglycinamide

ZINC:

ZINC000003634729

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).