BioLiP

PDB

BioLiP

PDB CCD ID:

SV4

Number of entries in BioLiP:

Chemical formula:

C11 H17 N3

InChI:

InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3

InChIKey:

ATUSBQCZIPECGZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	Cc1cccnc1N2CCCNCC2

Name:

1-(3-methylpyridin-2-yl)-1,4-diazepane

ZINC:

ZINC000019015162

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).