BioLiP

PDB

BioLiP

PDB CCD ID:

ZQ2

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O2 Ru2

InChI:

InChI=1S/C13H12N2.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2(3)4;;/h1-10H,11H2;2H,1H3;;/q2*-2;2*+2

InChIKey:

HYYYEFNDCLICTP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1O[Ru]2N(CN([Ru]2O1)c3ccccc3)c4ccccc4
CACTVS 3.385	CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3

Name:

[Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol);
3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane

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).