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BioLiP

PDB CCD ID: MM6
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.341C1CN2CCN3CCCN4CCN(C1)[Ni]234
OpenEye OEToolkits 1.5.0C1CN2CCN3[Ni]24N(C1)CCN4CCC3
ACDLabs 10.04N12CCCN3CCN4CCCN(CC1)[Ni]234
Name:NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE);
NICKEL(II)(CYCLAM)
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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