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BioLiP

PDB CCD ID: RTB
Number of entries in BioLiP: 2
Chemical formula: C27 H19 N5 Ru
InChI: InChI=1S/C15H11N3.C12H8N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-11H;1-8H;/q;;+2
InChIKey: XMPKRNOGWDEKFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC=C[N]5=C98
CACTVS 3.385[Ru++].c1ccc(nc1)c2cccc(n2)c3ccccn3.c4cnc5c(c4)ccc6cccnc56
Name:(2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II)

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).
  • 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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