BioLiP

PDB

BioLiP

PDB CCD ID:

A1C9Z

Number of entries in BioLiP:

Chemical formula:

C11 H22 N2 O

InChI:

InChI=1S/C11H22N2O/c1-12-11(14)9-13(2)10-7-5-3-4-6-8-10/h10H,3-9H2,1-2H3,(H,12,14)

InChIKey:

PUSPCRKLLFPKEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CNC(=O)CN(C)C1CCCCCC1
ACDLabs 14.52	CN(CC(=O)NC)C1CCCCCC1

Name:

N~2~-cycloheptyl-N,N~2~-dimethylglycinamide

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).