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BioLiP

PDB CCD ID: 2FJ
Number of entries in BioLiP: 0
Chemical formula: C64 H44 N14 Ru2
InChI: InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2
InChIKey: CUPZTUKKQZECGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1
ACDLabs 12.01n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20
CACTVS 3.385[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11
Name:tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer
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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