BioLiP

PDB

BioLiP

PDB CCD ID:

GXQ

Number of entries in BioLiP:

Chemical formula:

C12 H28 N4

InChI:

InChI=1S/C12H28N4/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h11-12,15-16H,1-10,13-14H2/t11-,12-

InChIKey:

PYBOSIQOXDJMFB-HAQNSBGRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCN[CH]1CC[CH](CC1)NCCCN
OpenEye OEToolkits 2.0.6	C1CC(CCC1NCCCN)NCCCN
CACTVS 3.385	NCCCN[C@@H]1CC[C@H](CC1)NCCCN

Name:

N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine

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).