BioLiP

PDB

BioLiP

PDB CCD ID:

RTA

Number of entries in BioLiP:

Chemical formula:

C25 H42 N5 Ru

InChI:

InChI=1S/C15H26N3.C10H16N2.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h12-15H,1-11H2;1,5,9-10H,2-4,6-8H2;/q-3;-2;+7/t12-,13?,14?,15?;9?,10-;/m10./s1

InChIKey:

VLDOLZCQXZUBCJ-WKTHGOLZSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N5CCC=CC5C6N7CCCC6
CACTVS 3.341	C1CCN2[C@H](C1)[C@@H]3CCC[C@H]4[C@H]5CCCCN5[Ru++]26(N7CCCC[C@H]7[C@@H]8C=CCCN68)N34
CACTVS 3.341	C1CCN2[CH](C1)[CH]3CCC[CH]4[CH]5CCCCN5[Ru++]26(N7CCCC[CH]7[CH]8C=CCCN68)N34
OpenEye OEToolkits 1.5.0	C1CCN2C(C1)C3CCCC4N3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8

Name:

(2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) 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).