BioLiP

PDB

BioLiP

PDB CCD ID:

RUH

Number of entries in BioLiP:

Chemical formula:

C16 H22 Cl N2 Ru

InChI:

InChI=1S/C14H10.C2H6N2.ClH.Ru/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;3-1-2-4;;/h1-2H,5-6,9-10H2;3-4H,1-2H2;1H;/q;-2;;+3/p-1

InChIKey:

GYWLGEANONYPCA-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67)CC9=C(C8)CC=CC9)Cl
CACTVS 3.385	NCCN.Cl[Ru].C1C=CCC2=C1CC3=C(C2)C=CC=C3
ACDLabs 12.01	[Ru]493215(C=68C1=C2C3=C4C5=6CC=7CC=CCC=7C8)(NCCN9)Cl

Name:

(ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl

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).