SEQ2FUN

BioLiP

PDB CCD ID: 4A6
Number of entries in BioLiP: 0
Chemical formula: C10 H14 Ru
InChI: InChI=1S/C10H8.Ru/c1-8(2)10-6-4-9(3)5-7-10;/h3H2,1-2H3;
InChIKey: UGCPEEMQJJGXOS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=C12=C3[Ru]1456C2=C4C5(=C63)=C)C
CACTVS 3.385[Ru]|1|2|3|4|5|C6=C|1[C]|2(=C|3C|4=[C]|56=C)=C(C)C
Name:[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium
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).