BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3O

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2

InChI:

InChI=1S/C13H18N2/c14-10-12-5-4-6-13(9-12)11-15-7-2-1-3-8-15/h4-6,9-10,14H,1-3,7-8,11H2/b14-10-

InChIKey:

DXDRUYCRDQGOTK-UVTDQMKNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N=Cc1cccc(CN2CCCCC2)c1
OpenEye OEToolkits 2.0.7	[H]/N=C\c1cccc(c1)CN2CCCCC2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C=N)CN2CCCCC2

Name:

[3-(piperidin-1-ylmethyl)phenyl]methanimine

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).