BioLiP

PDB

BioLiP

PDB CCD ID:

PJG

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2

InChI:

InChI=1S/C12H22N2/c13-1-2-14-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,14H,1-8,13H2/t9-,10+,11-,12-

InChIKey:

IQMUFNISQFPZJC-CDECOKDKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCNC12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 2.0.6	C1C2CC3CC1CC(C2)(C3)NCCN
ACDLabs 12.01	C13(CC2CC(CC(C1)C2)C3)NCCN

Name:

N~1~-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]ethane-1,2-diamine

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).