BioLiP

PDB

BioLiP

PDB CCD ID:

YWR

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O11 Ru2

InChI:

InChI=1S/C15H16N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1(3)4;;/h3-10H,11H2,1-2H3;3*(H2,2,3,4);;/q-2;;;;2*+4/p-6

InChIKey:

ZRTJISXBTQGSGU-UHFFFAOYSA-H

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45OC(=O)O[Ru]2(OC(=O)O4)OC(=O)O5
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccc(cc6)OC

Name:

K2[Ru2(DAniF)(CO3)3]

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).