BioLiP

PDB

BioLiP

PDB CCD ID:

V7F

Number of entries in BioLiP:

Chemical formula:

C38 H24 N6 Ru

InChI:

InChI=1S/C14H8N2.2C12H8N2.Ru/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-8H;2*1-8H;/q-2;;;+4

InChIKey:

SKXAWXSJDKGLCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[N-]1c2c([N-][Ru]134([n+]5cccc6ccc7ccc[n+]3c7c56)[n+]8cccc9ccc%10ccc[n+]4c%10c89)c%11ccccc%11c%12ccccc2%12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3c4c2[N-][Ru]56([N-]4)([n+]7cccc8c7c9[n+]5cccc9cc8)[n+]1cccc2c1c1[n+]6cccc1cc2

Name:

ruthenium polypyridyl complex (lambda enantiomer)

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).