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BioLiP

PDB CCD ID: YXZ
Number of entries in BioLiP: 1
Chemical formula: C15 H20 Cl N4 Ru
InChI: InChI=1S/C15H20N4.ClH.Ru/c16-10-4-1-7-13-19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;;/h2-3,5-6,8-9,11-12H,1,4,7,10,13,16H2;1H;/q;;+1/p-1
InChIKey: IIQHAXSUPAXJMA-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=CC=[N]2C(=C1)N(C3=[N]([Ru]2Cl)C=CC=C3)CCCCCN
CACTVS 3.370NCCCCCN1c2ccccn2|[Ru](Cl)|n3ccccc13
ACDLabs 12.01Cl[Ru]3n1ccccc1N(c2n3cccc2)CCCCCN
Name:chloro[N,N-di(pyridin-2-yl-kappaN)pentane-1,5-diamine]ruthenium
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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