BioLiP

PDB

BioLiP

PDB CCD ID:

MM6

Number of entries in BioLiP:

Chemical formula:

C10 H20 N4 Ni

InChI:

InChI=1S/C10H20N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;/h1-10H2;/q-4;+4

InChIKey:

XLYQNYHYULIGED-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C1CN2CCN3CCCN4CCN(C1)[Ni]234
OpenEye OEToolkits 1.5.0	C1CN2CCN3[Ni]24N(C1)CCN4CCC3
ACDLabs 10.04	N12CCCN3CCN4CCCN(CC1)[Ni]234

Name:

NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE);
NICKEL(II)(CYCLAM)

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).