BioLiP

PDB

BioLiP

PDB CCD ID:

ZWL

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O5 Ru2

InChI:

InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4;2-1-3;;/h1-10H,11H2;(H2,2,3,4);1H2;;/q-2;;-2;2*+3/p-2

InChIKey:

BRHWNNYPQHZNLT-UHFFFAOYSA-L

SMILES:

Software	SMILES
CACTVS 3.385	O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5
CACTVS 3.385	O=C1O[Ru@]23OCO[Ru@@]2(O1)N(CN3c4ccccc4)c5ccccc5

Name:

[Ru2(DPhF)(Formate)(CO3)]

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).