BioLiP

PDB

BioLiP

PDB CCD ID:

ZXE

Number of entries in BioLiP:

Chemical formula:

C16 H14 N2 O8 Ru2

InChI:

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

InChIKey:

VXNQBXDONZSVPB-UHFFFAOYSA-J

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)O4)OC(=O)O5)c6ccccc6
CACTVS 3.385	O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5

Name:

Ru2(DPhF)(CO3)2(Formate)

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).