SEQ2FUN

BioLiP

PDB CCD ID: NYN
Number of entries in BioLiP: 3
Chemical formula: C8 H16 N2 Ru S3
InChI: InChI=1S/C6H12S3.C2H4N2.Ru/c1-2-8-5-6-9-4-3-7-1;3-1-2-4;/h1-6H2;1-2H2;/q;-2;-3
InChIKey: ZNOIBYRQMPADCX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4
Name:chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).