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BioLiP

PDB CCD ID: RKL
Number of entries in BioLiP: 0
Chemical formula: C38 H22 N12 Ru
InChI: InChI=1S/C18H10N4.2C10H6N4.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;2*1-2-8-10(14-6-4-12-8)9-7(1)11-3-5-13-9;/h1-10H;2*1-6H;/q;;;+2
InChIKey: PIKVAZQLFXBUSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370[Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8ccccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%13
OpenEye OEToolkits 1.7.0c1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7=C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C=CC=C36
ACDLabs 12.01n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13
Name:Ru(tap)2(dppz) complex
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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