BioLiP

PDB

BioLiP

PDB CCD ID:

YMQ

Number of entries in BioLiP:

Chemical formula:

C19 H24 N2 O6 Ru2

InChI:

InChI=1S/C15H16N2O2.2C2H4O2.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;2*1-2(3)4;;/h3-10H,11H2,1-2H3;2*2H,1H3;;/q3*-2;2*+3

InChIKey:

ILDPKHMKTATIQB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[CH](C)O[Ru]24O[CH](C)O5
CACTVS 3.385	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45O[C@@H](C)O[Ru]24O[C@@H](C)O5
OpenEye OEToolkits 2.0.7	CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc4)OC)c5ccc(cc5)OC

Name:

9,11-bis(4-methoxyphenyl)-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).