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BioLiP

PDB CCD ID: RPS
Number of entries in BioLiP: 1
Chemical formula: C20 H19 N2 O3 Ru S3
InChI: InChI=1S/C13H7N2O2.C6H12S3.CO.Ru/c16-12-9-5-4-8(7-10(9)13(17)15-12)11-3-1-2-6-14-11;1-2-8-5-6-9-4-3-7-1;1-2;/h1-3,5-7H,(H,15,16,17);1-6H2;;/q;;+1;
InChIKey: WXCRGLMCKGBQGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O
CACTVS 3.385O=C1NC(=O)c2cc(c([Ru]C#[O+])cc12)c3ccccn3.C4CSCCSCCS4
ACDLabs 12.01O=C2c1cc7c(cc1C(=O)N2)c3ccccn3[Ru]675(C#[O+])S4CCS6CCS5CC4
Name:PHTALIMIDE-RUTHENIUM 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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