BioLiP

PDB

BioLiP

PDB CCD ID:

YXX

Number of entries in BioLiP:

Chemical formula:

C19 H22 Cl N4 O2 Ru

InChI:

InChI=1S/C19H22N4O2.ClH.Ru/c24-18-10-11-19(25)23(18)15-7-1-6-14-22(16-8-2-4-12-20-16)17-9-3-5-13-21-17;;/h2-5,8-9,12-13H,1,6-7,10-11,14-15H2;1H;/q;;+1/p-1

InChIKey:

LYRJXCXFYIQAEL-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1N(C(=O)CC1)CCCCCN3c2n(cccc2)[Ru](Cl)n4c3cccc4
OpenEye OEToolkits 1.7.6	C1CC(=O)N(C1=O)CCCCCN2C3=[N](C=CC=C3)[Ru]([N]4=CC=CC=C42)Cl
CACTVS 3.370	Cl[Ru]\|1\|n2ccccc2N(CCCCCN3C(=O)CCC3=O)c4ccccn\|14

Name:

chloro(1-{5-[di(pyridin-2-yl-kappaN)amino]pentyl}pyrrolidine-2,5-dione)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).