BioLiP

PDB

BioLiP

PDB CCD ID:

A1IW2

Number of entries in BioLiP:

Chemical formula:

C7 H5 Fe2 N2 O4 S2

InChI:

InChI=1S/C2H7NS2.CN.4CO.2Fe/c4-1-3-2-5;5*1-2;;/h3-5H,1-2H2;;;;;;;/q;;4*+1;;/p-2

InChIKey:

XFZOTBOGDANNAV-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1NC[S-]2[Fe]([S-]1[Fe]2(C#N)(C#[O+])C#[O+])(C#[O+])C#[O+]
CACTVS 3.385	N#C[Fe]1(C#[O+])(C#[O+])[S-]2CNC[S-]1[Fe]2(C#[O+])C#[O+]

Name:

6,6,7,7-tetrakis($l^{3}-oxidanylidynemethyl)-1$l^{3},5$l^{3}-dithia-3-aza-6$l^{5},7$l^{4}-diferrabicyclo[3.1.1]heptane-6-carbonitrile

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).