BioLiP

PDB

BioLiP

PDB CCD ID:

E3D

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl2 N2 Ru

InChI:

InChI=1S/C9H10N2.2ClH.Ru/c1-10-7-11(2)9-6-4-3-5-8(9)10;;;/h3-6H,1-2H3;2*1H;/q+1;;;+2/p-2

InChIKey:

AATWLMBEQHDZRT-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C
CACTVS 3.385	Cn1c2ccccc2[n+](C)c1[Ru](Cl)Cl
ACDLabs 12.01	c1([Ru](Cl)Cl)n(C)c2c([n+]1C)cccc2

Name:

dichloro(1,3-dimethyl-1H-benzimidazol-3-ium-2-yl)ruthenium;
dichlorido(1,3-dimethylbenzimidazol-2-ylidene)ruthenium(II)

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).