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BioLiP

PDB CCD ID: RTA
Number of entries in BioLiP: 1
Chemical formula: C25 H42 N5 Ru
InChI: InChI=1S/C15H26N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12-15H,1-11H2;1,5,9-10H,2-4,6-8H2;/q-3;-2;+7/t12-,13?,14?,15?;9?,10-;/m10./s1
InChIKey: VLDOLZCQXZUBCJ-WKTHGOLZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N5CCC=CC5C6N7CCCC6
CACTVS 3.341C1CCN2[C@H](C1)[C@@H]3CCC[C@H]4[C@H]5CCCCN5[Ru++]26(N7CCCC[C@H]7[C@@H]8C=CCCN68)N34
CACTVS 3.341C1CCN2[CH](C1)[CH]3CCC[CH]4[CH]5CCCCN5[Ru++]26(N7CCCC[CH]7[CH]8C=CCCN68)N34
OpenEye OEToolkits 1.5.0C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8
Name:(2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) 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)(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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