BioLiP

PDB

BioLiP

PDB CCD ID:

A1CVH

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2

InChI:

InChI=1S/C13H20N2/c1-14-11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h5-7,10,14H,2-4,8-9,11H2,1H3

InChIKey:

WHELHMLNRPDTJU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	CNCc1cc(ccc1)N1CCCCC1
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CNCc1cccc(c1)N2CCCCC2

Name:

N-methyl-1-[3-(piperidin-1-yl)phenyl]methanamine

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).