BioLiP

PDB

BioLiP

PDB CCD ID:

TZ6

Number of entries in BioLiP:

Chemical formula:

C17 H18 F2 N2 O4 Ru2

InChI:

InChI=1S/C13H10F2N2.2C2H4O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;;/h1-8H,9H2;2*2H,1H3;;/q3*-2;2*+3

InChIKey:

NOQXZAUOMFZMHS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)F)c5ccc(cc5)F
CACTVS 3.385	CC1O[Ru]23OC(C)O[Ru]2(O1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5

Name:

9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

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).