BioLiP

PDB

BioLiP

PDB CCD ID:

7GE

Number of entries in BioLiP:

Chemical formula:

C7 H6 Cl5 N2 Ru

InChI:

InChI=1S/C7H6N2.5ClH.Ru/c1-2-4-7-6(3-1)5-8-9-7;;;;;;/h1-5H,(H,8,9);5*1H;/q;;;;;;+5/p-5

InChIKey:

BDILZFSGPXXJCX-UHFFFAOYSA-I

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)c[n+]([nH]2)[Ru-](Cl)(Cl)(Cl)(Cl)Cl
CACTVS 3.385	Cl[Ru-](Cl)(Cl)(Cl)(Cl)[n+]1[nH]c2ccccc2c1

Name:

pentakis(chloranyl)-(1~{H}-indazol-2-ium-2-yl)ruthenium(1-)

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).