BioLiP

PDB

BioLiP

PDB CCD ID:

D86

Number of entries in BioLiP:

Chemical formula:

C6 H14 N3

InChI:

InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)/p+1

InChIKey:

QUUYRYYUKNNNNS-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	NC(=[NH2+])N1CCCCC1
OpenEye OEToolkits 2.0.6	C1CCN(CC1)C(=[NH2+])N

Name:

[azanyl(piperidin-1-yl)methylidene]azanium

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).