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BioLiP

PDB CCD ID: HRU
Number of entries in BioLiP: 1
Chemical formula: C12 H22 N2 Ru
InChI: InChI=1S/C10H14.C2H8N2.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;/h4-8H,1-3H3;1-4H2;/q;;
InChIKey: ONRAUXPVDLKQOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)[NH2+]C7
CACTVS 3.370[Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|2C|3(C|4C|5C|67C)C(C)C
OpenEye OEToolkits 1.7.6CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7
Name:(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]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).
  • 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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