BioLiP

PDB

BioLiP

PDB CCD ID:

R6U

Number of entries in BioLiP:

Chemical formula:

C5 H11 N2 O3 Ru

InChI:

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

InChIKey:

NXUITYSMOYFBJL-UHFFFAOYSA-K

SMILES:

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

Name:

(1,3-dimethylimidazol-1-ium-2-yl)-tris(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).