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BioLiP Library

PDB CCD ID: 9ZQ
Number of entries in BioLiP: 0
Chemical formula: C44 H30 N8 Ru
InChI: InChI=1S/C20H14N4.2C12H8N2.Ru/c1-11-9-15-16(10-12(11)2)24-20-14-6-4-8-22-18(14)17-13(19(20)23-15)5-3-7-21-17;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h3-10H,1-2H3;2*1-8H;/q;;;+6
InChIKey: SWTHIMQOVCZKDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1cc2c(cc1C)nc3c4ccc[n+]5c4c6c(c3n2)ccc[n+]6[Ru]578([n+]9cccc1c9c2[n+]7cccc2cc1)[n+]1cccc2c1c1[n+]8cccc1cc2
CACTVS 3.385Cc1cc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9cccc%10ccc%11ccc[n+]7c%11c9%10)[n+]%12cccc%13ccc%14ccc[n+]8c%14c%12%13)c3nc2cc1C
Name:Ru(phen)2(dppz-11,12-Me2)
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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