BioLiP

PDB

BioLiP

PDB CCD ID:

T9L

Number of entries in BioLiP:

Chemical formula:

C5 H12 N2 O4 Ru

InChI:

InChI=1S/C5H8N2.4H2O.Ru/c1-6-3-4-7(2)5-6;;;;;/h3-4H,1-2H3;4*1H2;/q+1;;;;;+4/p-4

InChIKey:

GBFAIMOOTSOZCZ-UHFFFAOYSA-J

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc[n+](C)c1[Ru](O)(O)(O)O
OpenEye OEToolkits 2.0.7	Cn1cc[n+](c1[Ru](O)(O)(O)O)C

Name:

(1,3-dimethylimidazol-1-ium-2-yl)-tetrakis(oxidanyl)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).